methane;5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine);2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;bis(2-propan-2-yl-2,3-dihydro-1H-indene);bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole

C161H229N7O5S2 — CID 158157773

IUPACmethane;5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine);2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;bis(2-propan-2-yl-2,3-dihydro-1H-indene);bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
SMILESC.C.C.C.CC(C)C1COCc2ccccc21.CC(C)C1COCc2ncccc21.CC(C)C1Cc2ccccc2C1.CC(C)C1Cc2ccccc2C1.CC(C)C1Cc2ccccc2N1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)CCOC2.CC(C)c1ccc2c(n1)CCC2.CC(C)c1ccc2c(n1)CCC2.CC(C)c1ccc2c(n1)CCOC2.CC(C)c1nc2c(s1)CCC2.CC(C)c1nc2c(s1)CCCC2
InChIInChI=1S/2C12H16O.4C12H16.2C11H15NO.3C11H15N.C11H14O.C10H15NS.C9H13NS.4CH4/c1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;2*1-9(2)11-7-6-10-4-3-5-12(10)8-11;2*1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)10-4-3-9-7-13-6-5-11(9)12-10;1-8(2)10-6-13-7-11-9(10)4-3-5-12-11;2*1-8(2)10-7-6-9-4-3-5-11(9)12-10;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)9-10-7-4-3-5-8(7)11-9;;;;/h3-4,7,9H,5-6,8H2,1-2H3;3-6,9,12H,7-8H2,1-2H3;2*6-9H,3-5H2,1-2H3;2*3-6,9,12H,7-8H2,1-2H3;3-4,8H,5-7H2,1-2H3;3-5,8,10H,6-7H2,1-2H3;2*6-8H,3-5H2,1-2H3;3-6,8,11-12H,7H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;4*1H4
InChIKeyFVWZSYJLXSRDPE-UHFFFAOYSA-N
MW2406.78 g/mol
LogP42.44
Rot. Bonds14

About methane;5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine);2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;bis(2-propan-2-yl-2,3-dihydro-1H-indene);bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole

methane;5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine);2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;bis(2-propan-2-yl-2,3-dihydro-1H-indene);bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole (PubChem CID 158157773) has the molecular formula C161H229N7O5S2 and a molecular weight of 2406.78 g/mol. Its IUPAC name is methane;5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine);2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;bis(2-propan-2-yl-2,3-dihydro-1H-indene);bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole.

Molecular Properties

Compound Namemethane;5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine);2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;bis(2-propan-2-yl-2,3-dihydro-1H-indene);bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
PubChem CID158157773
Molecular FormulaC161H229N7O5S2
Molecular Weight2406.78 g/mol
Exact Mass2404.73
IUPAC Namemethane;5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine);2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;bis(2-propan-2-yl-2,3-dihydro-1H-indene);bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
SMILESC.C.C.C.CC(C)C1COCc2ccccc21.CC(C)C1COCc2ncccc21.CC(C)C1Cc2ccccc2C1.CC(C)C1Cc2ccccc2C1.CC(C)C1Cc2ccccc2N1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)CCOC2.CC(C)c1ccc2c(n1)CCC2.CC(C)c1ccc2c(n1)CCC2.CC(C)c1ccc2c(n1)CCOC2.CC(C)c1nc2c(s1)CCC2.CC(C)c1nc2c(s1)CCCC2
InChIInChI=1S/2C12H16O.4C12H16.2C11H15NO.3C11H15N.C11H14O.C10H15NS.C9H13NS.4CH4/c1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;2*1-9(2)11-7-6-10-4-3-5-12(10)8-11;2*1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)10-4-3-9-7-13-6-5-11(9)12-10;1-8(2)10-6-13-7-11-9(10)4-3-5-12-11;2*1-8(2)10-7-6-9-4-3-5-11(9)12-10;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)9-10-7-4-3-5-8(7)11-9;;;;/h3-4,7,9H,5-6,8H2,1-2H3;3-6,9,12H,7-8H2,1-2H3;2*6-9H,3-5H2,1-2H3;2*3-6,9,12H,7-8H2,1-2H3;3-4,8H,5-7H2,1-2H3;3-5,8,10H,6-7H2,1-2H3;2*6-8H,3-5H2,1-2H3;3-6,8,11-12H,7H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;4*1H4
InChIKeyFVWZSYJLXSRDPE-UHFFFAOYSA-N
XLogP42.44
TPSA135.52 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms175
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002406.78
LogP ≤ 542.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze methane;5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine);2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;bis(2-propan-2-yl-2,3-dihydro-1H-indene);bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of methane;5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine);2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;bis(2-propan-2-yl-2,3-dihydro-1H-indene);bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole?
The IUPAC name of methane;5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine);2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;bis(2-propan-2-yl-2,3-dihydro-1H-indene);bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole (CID 158157773) is methane;5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine);2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;bis(2-propan-2-yl-2,3-dihydro-1H-indene);bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole.
What is the SMILES notation for methane;5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine);2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;bis(2-propan-2-yl-2,3-dihydro-1H-indene);bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole?
The canonical SMILES for methane;5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine);2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;bis(2-propan-2-yl-2,3-dihydro-1H-indene);bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole is C.C.C.C.CC(C)C1COCc2ccccc21.CC(C)C1COCc2ncccc21.CC(C)C1Cc2ccccc2C1.CC(C)C1Cc2ccccc2C1.CC(C)C1Cc2ccccc2N1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)CCOC2.CC(C)c1ccc2c(n1)CCC2.CC(C)c1ccc2c(n1)CCC2.CC(C)c1ccc2c(n1)CCOC2.CC(C)c1nc2c(s1)CCC2.CC(C)c1nc2c(s1)CCCC2.
What is the InChIKey of methane;5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine);2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;bis(2-propan-2-yl-2,3-dihydro-1H-indene);bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole?
The InChIKey is FVWZSYJLXSRDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H16O.4C12H16.2C11H15NO.3C11H15N.C11H14O.C10H15NS.C9H13NS.4CH4/c1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;2*1-9(2)11-7-6-10-4-3-5-12(10)8-11;2*1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)10-4-3-9-7-13-6-5-11(9)12-10;1-8(2)10-6-13-7-11-9(10)4-3-5-12-11;2*1-8(2)10-7-6-9-4-3-5-11(9)12-10;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)9-10-7-4-3-5-8(7)11-9;;;;/h3-4,7,9H,5-6,8H2,1-2H3;3-6,9,12H,7-8H2,1-2H3;2*6-9H,3-5H2,1-2H3;2*3-6,9,12H,7-8H2,1-2H3;3-4,8H,5-7H2,1-2H3;3-5,8,10H,6-7H2,1-2H3;2*6-8H,3-5H2,1-2H3;3-6,8,11-12H,7H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;4*1H4.
What are the key properties of methane;5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine);2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;bis(2-propan-2-yl-2,3-dihydro-1H-indene);bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole?
methane;5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine);2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;bis(2-propan-2-yl-2,3-dihydro-1H-indene);bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole has a molecular weight of 2406.78 g/mol, XLogP of 42.44, 14 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine);2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;bis(2-propan-2-yl-2,3-dihydro-1H-indene);bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole is sourced from PubChem (CID 158157773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).