1-[[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide

C25H27ClN4OS2 — CID 20801019

IUPAC1-[[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2cnc(-c3ccc(Cl)s3)s2)CC1
InChIInChI=1S/C25H27ClN4OS2/c1-16(2)29-11-9-18(10-12-29)28-24(31)21-13-17-5-3-4-6-20(17)30(21)15-19-14-27-25(32-19)22-7-8-23(26)33-22/h3-8,13-14,16,18H,9-12,15H2,1-2H3,(H,28,31)
InChIKeyDBUBLUXPBHYRHZ-UHFFFAOYSA-N
MW499.11 g/mol
LogP6.13
Rot. Bonds6

About 1-[[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide

1-[[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (PubChem CID 20801019) has the molecular formula C25H27ClN4OS2 and a molecular weight of 499.11 g/mol. Its IUPAC name is 1-[[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-[[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
PubChem CID20801019
Molecular FormulaC25H27ClN4OS2
Molecular Weight499.11 g/mol
Exact Mass498.13
IUPAC Name1-[[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2cnc(-c3ccc(Cl)s3)s2)CC1
InChIInChI=1S/C25H27ClN4OS2/c1-16(2)29-11-9-18(10-12-29)28-24(31)21-13-17-5-3-4-6-20(17)30(21)15-19-14-27-25(32-19)22-7-8-23(26)33-22/h3-8,13-14,16,18H,9-12,15H2,1-2H3,(H,28,31)
InChIKeyDBUBLUXPBHYRHZ-UHFFFAOYSA-N
XLogP6.13
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.11
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-((1R,2S,5S)-2-(5-Chloro-1H-indole-2-carboxamido)-5-(dimethylcarbamoyl)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-C]pyridine-2-carboxamide
CID 9808346
N-((1R,2S)-2-(5-Chloro-1H-indole-2-carboxamido)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-C]pyridine-2-carboxamide
CID 24752832
2-chloro-N-{1-[2-(methylcarbamoyl)ethyl]-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl}-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 10094246
2-chloro-N-{1-[(dimethylcarbamoyl)methyl]-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl}-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 10410468
2-chloro-N-{1-[(methylcarbamoyl)methyl]-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl}-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 10432087
1-{[5-(5-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl}-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801097
1-{[(5-chlorothiophen-2-yl)carbamoyl]methyl}-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801159
1-[(6-chloro-1-benzothiophen-2-yl)methyl]-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801160
N-((1R,2R)-2-(5-Chloro-1H-indole-2-carboxamido)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-C]pyridine-2-carboxamide
CID 24752833
cis-1,2-Diaminocyclohexane derivative, 8l
CID 44520917
cis-1,2-Diaminocyclohexane derivative, 5d
CID 44520922
cis-1,2-Diaminocyclohexane derivative, 48
CID 44520930

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The IUPAC name of 1-[[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (CID 20801019) is 1-[[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.
What is the SMILES notation for 1-[[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The canonical SMILES for 1-[[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is CC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2cnc(-c3ccc(Cl)s3)s2)CC1.
What is the InChIKey of 1-[[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The InChIKey is DBUBLUXPBHYRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4OS2/c1-16(2)29-11-9-18(10-12-29)28-24(31)21-13-17-5-3-4-6-20(17)30(21)15-19-14-27-25(32-19)22-7-8-23(26)33-22/h3-8,13-14,16,18H,9-12,15H2,1-2H3,(H,28,31).
What are the key properties of 1-[[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
1-[[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide has a molecular weight of 499.11 g/mol, XLogP of 6.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is sourced from PubChem (CID 20801019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).