6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

C167H216N12OS10 — CID 161395030

IUPAC6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESCC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1cccc2c1CCC2.CC(C)c1cccc2c1CCN2.CC(C)c1cccc2ncsc12.CC(C)c1cccc2scnc12.CC(C)c1csc2c1CCN(C)C2.CC(C)c1csc2c1CCN(C1COC1)C2.CC(C)c1csc2c1CCNC2.CCN1CCc2c(C(C)C)csc2C1.Cc1nc2cccc(C(C)C)c2s1.Cc1nc2cccc(C(C)C)c2s1
InChIInChI=1S/C13H19NOS.C12H19NS.C12H13N.3C12H16.C11H17NS.2C11H13NS.C11H15N.C10H15NS.4C10H11NS/c1-9(2)12-8-16-13-5-14(4-3-11(12)13)10-6-15-7-10;1-4-13-6-5-10-11(9(2)3)8-14-12(10)7-13;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-7-3-5-10-6-4-8-12(10)11;2*1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)10-7-13-11-6-12(3)5-4-9(10)11;2*1-7(2)9-5-4-6-10-11(9)13-8(3)12-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)9-6-12-10-5-11-4-3-8(9)10;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-10(8)11-6-12-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9/h8-10H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3;3-9H,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;2*6-9H,3-5H2,1-2H3;7-8H,4-6H2,1-3H3;2*4-7H,1-3H3;3-5,8,12H,6-7H2,1-2H3;6-7,11H,3-5H2,1-2H3;4*3-7H,1-2H3
InChIKeyVTMHYMJMSFHPSV-UHFFFAOYSA-N
MW2728.32 g/mol
LogP48.42
Rot. Bonds17

About 6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (PubChem CID 161395030) has the molecular formula C167H216N12OS10 and a molecular weight of 2728.32 g/mol. Its IUPAC name is 6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Name6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
PubChem CID161395030
Molecular FormulaC167H216N12OS10
Molecular Weight2728.32 g/mol
Exact Mass2725.44
IUPAC Name6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESCC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1cccc2c1CCC2.CC(C)c1cccc2c1CCN2.CC(C)c1cccc2ncsc12.CC(C)c1cccc2scnc12.CC(C)c1csc2c1CCN(C)C2.CC(C)c1csc2c1CCN(C1COC1)C2.CC(C)c1csc2c1CCNC2.CCN1CCc2c(C(C)C)csc2C1.Cc1nc2cccc(C(C)C)c2s1.Cc1nc2cccc(C(C)C)c2s1
InChIInChI=1S/C13H19NOS.C12H19NS.C12H13N.3C12H16.C11H17NS.2C11H13NS.C11H15N.C10H15NS.4C10H11NS/c1-9(2)12-8-16-13-5-14(4-3-11(12)13)10-6-15-7-10;1-4-13-6-5-10-11(9(2)3)8-14-12(10)7-13;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-7-3-5-10-6-4-8-12(10)11;2*1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)10-7-13-11-6-12(3)5-4-9(10)11;2*1-7(2)9-5-4-6-10-11(9)13-8(3)12-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)9-6-12-10-5-11-4-3-8(9)10;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-10(8)11-6-12-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9/h8-10H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3;3-9H,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;2*6-9H,3-5H2,1-2H3;7-8H,4-6H2,1-3H3;2*4-7H,1-3H3;3-5,8,12H,6-7H2,1-2H3;6-7,11H,3-5H2,1-2H3;4*3-7H,1-2H3
InChIKeyVTMHYMJMSFHPSV-UHFFFAOYSA-N
XLogP48.42
TPSA133.24 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds17
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002728.32
LogP ≤ 548.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Analyze 6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The IUPAC name of 6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (CID 161395030) is 6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.
What is the SMILES notation for 6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The canonical SMILES for 6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1cccc2c1CCC2.CC(C)c1cccc2c1CCN2.CC(C)c1cccc2ncsc12.CC(C)c1cccc2scnc12.CC(C)c1csc2c1CCN(C)C2.CC(C)c1csc2c1CCN(C1COC1)C2.CC(C)c1csc2c1CCNC2.CCN1CCc2c(C(C)C)csc2C1.Cc1nc2cccc(C(C)C)c2s1.Cc1nc2cccc(C(C)C)c2s1.
What is the InChIKey of 6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The InChIKey is VTMHYMJMSFHPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS.C12H19NS.C12H13N.3C12H16.C11H17NS.2C11H13NS.C11H15N.C10H15NS.4C10H11NS/c1-9(2)12-8-16-13-5-14(4-3-11(12)13)10-6-15-7-10;1-4-13-6-5-10-11(9(2)3)8-14-12(10)7-13;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-7-3-5-10-6-4-8-12(10)11;2*1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)10-7-13-11-6-12(3)5-4-9(10)11;2*1-7(2)9-5-4-6-10-11(9)13-8(3)12-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)9-6-12-10-5-11-4-3-8(9)10;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-10(8)11-6-12-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9/h8-10H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3;3-9H,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;2*6-9H,3-5H2,1-2H3;7-8H,4-6H2,1-3H3;2*4-7H,1-3H3;3-5,8,12H,6-7H2,1-2H3;6-7,11H,3-5H2,1-2H3;4*3-7H,1-2H3.
What are the key properties of 6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine has a molecular weight of 2728.32 g/mol, XLogP of 48.42, 17 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is sourced from PubChem (CID 161395030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).