2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazole-4-carboxamide

C16H17N5OS — CID 56881637

IUPAC2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-c2cc(NC3CCCC3)nc3[nH]ccc23)n1
InChIInChI=1S/C16H17N5OS/c17-14(22)12-8-23-16(20-12)11-7-13(19-9-3-1-2-4-9)21-15-10(11)5-6-18-15/h5-9H,1-4H2,(H2,17,22)(H2,18,19,21)
InChIKeyYTVMDYYBDBRVFN-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.14
Rot. Bonds4

About 2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazole-4-carboxamide

2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 56881637) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID56881637
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-c2cc(NC3CCCC3)nc3[nH]ccc23)n1
InChIInChI=1S/C16H17N5OS/c17-14(22)12-8-23-16(20-12)11-7-13(19-9-3-1-2-4-9)21-15-10(11)5-6-18-15/h5-9H,1-4H2,(H2,17,22)(H2,18,19,21)
InChIKeyYTVMDYYBDBRVFN-UHFFFAOYSA-N
XLogP3.14
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-Phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-thiazol-2-yl]-acetamide
CID 11515518
1-[(2S)-4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone
CID 71680304
N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 90192038
1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-ethylpiperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone
CID 71679629
(2-aminothiazol-4-yl)-[(3R)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]methanone
CID 24749484
(2-bromothiazol-4-yl)-[(3R)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]methanone
CID 24750063
N-(2-(1H-indol-3-yl)ethyl)-2-(phenylamino)thiazole-4-carboxamide
CID 44069541
(2-bromo-1,3-thiazol-4-yl)-[(3S)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]methanone
CID 73347589
(2-amino-1,3-thiazol-4-yl)-[(3S)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]methanone
CID 73347590
2-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-2-yl]acetamide
CID 145983172
5-(2-amino-4-pyridinyl)-2-methyl-N-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166627251
N-[(1R)-4-amino-4-oxo-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]butyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 24861117

Frequently Asked Questions

What is the IUPAC name of 2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazole-4-carboxamide (CID 56881637) is 2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazole-4-carboxamide is NC(=O)c1csc(-c2cc(NC3CCCC3)nc3[nH]ccc23)n1.
What is the InChIKey of 2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is YTVMDYYBDBRVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c17-14(22)12-8-23-16(20-12)11-7-13(19-9-3-1-2-4-9)21-15-10(11)5-6-18-15/h5-9H,1-4H2,(H2,17,22)(H2,18,19,21).
What are the key properties of 2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazole-4-carboxamide?
2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56881637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).