(6-chloro-1H-indol-2-yl)-[2-[(4-methylcyclohexyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone

C22H25ClN4OS — CID 142576132

IUPAC(6-chloro-1H-indol-2-yl)-[2-[(4-methylcyclohexyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
SMILESCC1CCC(Nc2nc3c(s2)CN(C(=O)c2cc4ccc(Cl)cc4[nH]2)CC3)CC1
InChIInChI=1S/C22H25ClN4OS/c1-13-2-6-16(7-3-13)24-22-26-17-8-9-27(12-20(17)29-22)21(28)19-10-14-4-5-15(23)11-18(14)25-19/h4-5,10-11,13,16,25H,2-3,6-9,12H2,1H3,(H,24,26)
InChIKeyCQHYJHULVFGGRE-UHFFFAOYSA-N
MW428.99 g/mol
LogP5.47
Rot. Bonds3

About (6-chloro-1H-indol-2-yl)-[2-[(4-methylcyclohexyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone

(6-chloro-1H-indol-2-yl)-[2-[(4-methylcyclohexyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone (PubChem CID 142576132) has the molecular formula C22H25ClN4OS and a molecular weight of 428.99 g/mol. Its IUPAC name is (6-chloro-1H-indol-2-yl)-[2-[(4-methylcyclohexyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(6-chloro-1H-indol-2-yl)-[2-[(4-methylcyclohexyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
PubChem CID142576132
Molecular FormulaC22H25ClN4OS
Molecular Weight428.99 g/mol
Exact Mass428.14
IUPAC Name(6-chloro-1H-indol-2-yl)-[2-[(4-methylcyclohexyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
SMILESCC1CCC(Nc2nc3c(s2)CN(C(=O)c2cc4ccc(Cl)cc4[nH]2)CC3)CC1
InChIInChI=1S/C22H25ClN4OS/c1-13-2-6-16(7-3-13)24-22-26-17-8-9-27(12-20(17)29-22)21(28)19-10-14-4-5-15(23)11-18(14)25-19/h4-5,10-11,13,16,25H,2-3,6-9,12H2,1H3,(H,24,26)
InChIKeyCQHYJHULVFGGRE-UHFFFAOYSA-N
XLogP5.47
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.99
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6-chloro-1H-indol-2-yl)-[2-[(4-methylcyclohexyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone with MolForge

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Related Compounds

1H-indol-2-yl-[2-(oxan-4-ylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 142576241
N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 90525454
N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 164702728
N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]azetidine-3-carboxamide
CID 154637669
1-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylsulfonylurea
CID 154637650
[2-[(2-cyclopropyl-3-hydroxypropyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone
CID 142576190
N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90525922
[2-[[1-(hydroxymethyl)cyclopropyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone
CID 142576232
(5,6-difluoro-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
CID 142576493
1-cyclopentyl-3-[5-(2,4-dichlorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529343
1H-indol-2-yl-[2-[[1-(methoxymethyl)cyclopropyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 154637663
[2-[[2-(cyclopropylmethyl)-3-hydroxypropyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone
CID 142576560

Frequently Asked Questions

What is the IUPAC name of (6-chloro-1H-indol-2-yl)-[2-[(4-methylcyclohexyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
The IUPAC name of (6-chloro-1H-indol-2-yl)-[2-[(4-methylcyclohexyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone (CID 142576132) is (6-chloro-1H-indol-2-yl)-[2-[(4-methylcyclohexyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone.
What is the SMILES notation for (6-chloro-1H-indol-2-yl)-[2-[(4-methylcyclohexyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
The canonical SMILES for (6-chloro-1H-indol-2-yl)-[2-[(4-methylcyclohexyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone is CC1CCC(Nc2nc3c(s2)CN(C(=O)c2cc4ccc(Cl)cc4[nH]2)CC3)CC1.
What is the InChIKey of (6-chloro-1H-indol-2-yl)-[2-[(4-methylcyclohexyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
The InChIKey is CQHYJHULVFGGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4OS/c1-13-2-6-16(7-3-13)24-22-26-17-8-9-27(12-20(17)29-22)21(28)19-10-14-4-5-15(23)11-18(14)25-19/h4-5,10-11,13,16,25H,2-3,6-9,12H2,1H3,(H,24,26).
What are the key properties of (6-chloro-1H-indol-2-yl)-[2-[(4-methylcyclohexyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
(6-chloro-1H-indol-2-yl)-[2-[(4-methylcyclohexyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone has a molecular weight of 428.99 g/mol, XLogP of 5.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1H-indol-2-yl)-[2-[(4-methylcyclohexyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone is sourced from PubChem (CID 142576132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).