7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylisoquinoline;3-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;3-propan-2-ylthieno[2,3-b]pyridine

C175H198N22S2 — CID 158163979

IUPAC7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylisoquinoline;3-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;3-propan-2-ylthieno[2,3-b]pyridine
SMILESCC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc2[nH]ccc2n1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2ncccc12.CC(C)c1cccc2ncsc12.CC(C)c1ccnc2[nH]ccc12.CC(C)c1ccnc2[nH]ncc12.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ncccc2c1.CC(C)c1csc2ncccc12
InChIInChI=1S/6C12H13N.C11H12N2.3C11H13N.3C10H12N2.2C10H11NS.C9H11N3/c1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)10-6-9-4-3-5-12-11(9)13-7-10;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)8-3-4-9-10(12-8)5-6-11-9;1-7(2)9-6-12-10-8(9)4-3-5-11-10;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-6(2)7-3-4-10-9-8(7)5-11-12-9/h6*3-9H,1-2H3;3-8H,1-2H3;3*3-8,12H,1-2H3;2*3-7H,1-2H3,(H,11,12);3-7,11H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,12)
InChIKeyFWPRXOWEVDXYGV-UHFFFAOYSA-N
MW2673.80 g/mol
LogP49.76
Rot. Bonds16

About 7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylisoquinoline;3-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;3-propan-2-ylthieno[2,3-b]pyridine

7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylisoquinoline;3-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;3-propan-2-ylthieno[2,3-b]pyridine (PubChem CID 158163979) has the molecular formula C175H198N22S2 and a molecular weight of 2673.80 g/mol. Its IUPAC name is 7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylisoquinoline;3-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;3-propan-2-ylthieno[2,3-b]pyridine.

Molecular Properties

Compound Name7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylisoquinoline;3-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;3-propan-2-ylthieno[2,3-b]pyridine
PubChem CID158163979
Molecular FormulaC175H198N22S2
Molecular Weight2673.80 g/mol
Exact Mass2671.56
IUPAC Name7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylisoquinoline;3-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;3-propan-2-ylthieno[2,3-b]pyridine
SMILESCC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc2[nH]ccc2n1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2ncccc12.CC(C)c1cccc2ncsc12.CC(C)c1ccnc2[nH]ccc12.CC(C)c1ccnc2[nH]ncc12.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ncccc2c1.CC(C)c1csc2ncccc12
InChIInChI=1S/6C12H13N.C11H12N2.3C11H13N.3C10H12N2.2C10H11NS.C9H11N3/c1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)10-6-9-4-3-5-12-11(9)13-7-10;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)8-3-4-9-10(12-8)5-6-11-9;1-7(2)9-6-12-10-8(9)4-3-5-11-10;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-6(2)7-3-4-10-9-8(7)5-11-12-9/h6*3-9H,1-2H3;3-8H,1-2H3;3*3-8,12H,1-2H3;2*3-7H,1-2H3,(H,11,12);3-7,11H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,12)
InChIKeyFWPRXOWEVDXYGV-UHFFFAOYSA-N
XLogP49.76
TPSA303.88 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002673.80
LogP ≤ 549.76
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

Analyze 7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylisoquinoline;3-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;3-propan-2-ylthieno[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylisoquinoline;3-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;3-propan-2-ylthieno[2,3-b]pyridine?
The IUPAC name of 7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylisoquinoline;3-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;3-propan-2-ylthieno[2,3-b]pyridine (CID 158163979) is 7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylisoquinoline;3-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;3-propan-2-ylthieno[2,3-b]pyridine.
What is the SMILES notation for 7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylisoquinoline;3-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;3-propan-2-ylthieno[2,3-b]pyridine?
The canonical SMILES for 7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylisoquinoline;3-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;3-propan-2-ylthieno[2,3-b]pyridine is CC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc2[nH]ccc2n1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2ncccc12.CC(C)c1cccc2ncsc12.CC(C)c1ccnc2[nH]ccc12.CC(C)c1ccnc2[nH]ncc12.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ncccc2c1.CC(C)c1csc2ncccc12.
What is the InChIKey of 7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylisoquinoline;3-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;3-propan-2-ylthieno[2,3-b]pyridine?
The InChIKey is FWPRXOWEVDXYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/6C12H13N.C11H12N2.3C11H13N.3C10H12N2.2C10H11NS.C9H11N3/c1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)10-6-9-4-3-5-12-11(9)13-7-10;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)8-3-4-9-10(12-8)5-6-11-9;1-7(2)9-6-12-10-8(9)4-3-5-11-10;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-6(2)7-3-4-10-9-8(7)5-11-12-9/h6*3-9H,1-2H3;3-8H,1-2H3;3*3-8,12H,1-2H3;2*3-7H,1-2H3,(H,11,12);3-7,11H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,12).
What are the key properties of 7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylisoquinoline;3-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;3-propan-2-ylthieno[2,3-b]pyridine?
7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylisoquinoline;3-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;3-propan-2-ylthieno[2,3-b]pyridine has a molecular weight of 2673.80 g/mol, XLogP of 49.76, 16 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylisoquinoline;3-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;3-propan-2-ylthieno[2,3-b]pyridine is sourced from PubChem (CID 158163979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).