2-[[4-(cyclopentanecarbonyl)-3-pyridinyl]carbamoylamino]-5-pyridin-2-ylsulfanyl-1,3-thiazole-4-carboxylic acid

C21H19N5O4S2 — CID 87230220

IUPAC2-[[4-(cyclopentanecarbonyl)-3-pyridinyl]carbamoylamino]-5-pyridin-2-ylsulfanyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(Nc1nc(C(=O)O)c(Sc2ccccn2)s1)Nc1cnccc1C(=O)C1CCCC1
InChIInChI=1S/C21H19N5O4S2/c27-17(12-5-1-2-6-12)13-8-10-22-11-14(13)24-20(30)26-21-25-16(18(28)29)19(32-21)31-15-7-3-4-9-23-15/h3-4,7-12H,1-2,5-6H2,(H,28,29)(H2,24,25,26,30)
InChIKeyIEYGWDRDZTURBD-UHFFFAOYSA-N
MW469.55 g/mol
LogP4.80
Rot. Bonds7

About 2-[[4-(cyclopentanecarbonyl)-3-pyridinyl]carbamoylamino]-5-pyridin-2-ylsulfanyl-1,3-thiazole-4-carboxylic acid

2-[[4-(cyclopentanecarbonyl)-3-pyridinyl]carbamoylamino]-5-pyridin-2-ylsulfanyl-1,3-thiazole-4-carboxylic acid (PubChem CID 87230220) has the molecular formula C21H19N5O4S2 and a molecular weight of 469.55 g/mol. Its IUPAC name is 2-[[4-(cyclopentanecarbonyl)-3-pyridinyl]carbamoylamino]-5-pyridin-2-ylsulfanyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(cyclopentanecarbonyl)-3-pyridinyl]carbamoylamino]-5-pyridin-2-ylsulfanyl-1,3-thiazole-4-carboxylic acid
PubChem CID87230220
Molecular FormulaC21H19N5O4S2
Molecular Weight469.55 g/mol
Exact Mass469.09
IUPAC Name2-[[4-(cyclopentanecarbonyl)-3-pyridinyl]carbamoylamino]-5-pyridin-2-ylsulfanyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(Nc1nc(C(=O)O)c(Sc2ccccn2)s1)Nc1cnccc1C(=O)C1CCCC1
InChIInChI=1S/C21H19N5O4S2/c27-17(12-5-1-2-6-12)13-8-10-22-11-14(13)24-20(30)26-21-25-16(18(28)29)19(32-21)31-15-7-3-4-9-23-15/h3-4,7-12H,1-2,5-6H2,(H,28,29)(H2,24,25,26,30)
InChIKeyIEYGWDRDZTURBD-UHFFFAOYSA-N
XLogP4.80
TPSA134.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[4-(cyclopentanecarbonyl)-3-pyridinyl]carbamoylamino]-5-pyridin-2-ylsulfanyl-1,3-thiazole-4-carboxylic acid with MolForge

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Related Compounds

2-[[3-(cyclopentanecarbonyl)-4-pyridinyl]carbamoylamino]-5-methylsulfanyl-1,3-thiazole-4-carboxylic acid;2-[[4-(cyclopentanecarbonyl)-3-pyridinyl]carbamoylamino]-5-methylsulfanyl-1,3-thiazole-4-carboxylic acid
CID 87417224
1-[4-(cyclopentanecarbonyl)-3-pyridinyl]-3-[4-(phenylsulfanylmethyl)-5-pyridin-2-ylsulfonyl-1,3-thiazol-2-yl]urea
CID 87230398
2-[[2-(cyclopentanecarbonyl)phenyl]carbamoylamino]-5-pyridin-2-ylsulfonyl-1,3-thiazole-4-carboxylic acid
CID 87230424
2-[[2-(cyclopentanecarbonyl)-4-(dimethylamino)phenyl]carbamoylamino]-5-pyridin-2-ylsulfonyl-1,3-thiazole-4-carboxylic acid
CID 87229872
N-[2-(cyclopentanecarbonyl)phenyl]-N'-(5-pyridin-2-ylsulfanyl-1,3-thiazol-2-yl)propanediamide
CID 87230314
1-[3-(cyclopentanecarbonyl)-4-pyridinyl]-3-[4-(methanesulfonamidomethyl)-5-pyridin-2-ylsulfonyl-1,3-thiazol-2-yl]urea
CID 87231056
1-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-3-[4-(cyclopentanecarbonyl)-3-pyridinyl]urea
CID 87229903
2-[5-chloro-2-[[3-(cyclopentanecarbonyl)-4-pyridinyl]carbamoylamino]-1,3-thiazol-4-yl]acetic acid
CID 87230148
1-[3-(cyclopentanecarbonyl)-4-pyridinyl]-3-[5-(1H-imidazol-2-ylsulfanyl)-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]urea
CID 87230451
2-[[2-(cyclopentanecarbonyl)-3-pyridinyl]carbamoylamino]-5-(2H-tetrazol-5-ylsulfonyl)-1,3-thiazole-4-carboxylic acid
CID 87230766
2-[[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-5-yl]sulfanyl]pyridine-3-carboxylic acid
CID 59732810
3-(cyclohexanecarbonyl)pyridine-2-carboxylic acid
CID 23364091

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclopentanecarbonyl)-3-pyridinyl]carbamoylamino]-5-pyridin-2-ylsulfanyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[4-(cyclopentanecarbonyl)-3-pyridinyl]carbamoylamino]-5-pyridin-2-ylsulfanyl-1,3-thiazole-4-carboxylic acid (CID 87230220) is 2-[[4-(cyclopentanecarbonyl)-3-pyridinyl]carbamoylamino]-5-pyridin-2-ylsulfanyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[4-(cyclopentanecarbonyl)-3-pyridinyl]carbamoylamino]-5-pyridin-2-ylsulfanyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[4-(cyclopentanecarbonyl)-3-pyridinyl]carbamoylamino]-5-pyridin-2-ylsulfanyl-1,3-thiazole-4-carboxylic acid is O=C(Nc1nc(C(=O)O)c(Sc2ccccn2)s1)Nc1cnccc1C(=O)C1CCCC1.
What is the InChIKey of 2-[[4-(cyclopentanecarbonyl)-3-pyridinyl]carbamoylamino]-5-pyridin-2-ylsulfanyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is IEYGWDRDZTURBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4S2/c27-17(12-5-1-2-6-12)13-8-10-22-11-14(13)24-20(30)26-21-25-16(18(28)29)19(32-21)31-15-7-3-4-9-23-15/h3-4,7-12H,1-2,5-6H2,(H,28,29)(H2,24,25,26,30).
What are the key properties of 2-[[4-(cyclopentanecarbonyl)-3-pyridinyl]carbamoylamino]-5-pyridin-2-ylsulfanyl-1,3-thiazole-4-carboxylic acid?
2-[[4-(cyclopentanecarbonyl)-3-pyridinyl]carbamoylamino]-5-pyridin-2-ylsulfanyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 469.55 g/mol, XLogP of 4.80, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclopentanecarbonyl)-3-pyridinyl]carbamoylamino]-5-pyridin-2-ylsulfanyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 87230220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).