1-[[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid

C15H18N4O3S — CID 119176691

IUPAC1-[[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1nc(-c2cnn(C)c2)sc1C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C15H18N4O3S/c1-9-11(23-13(17-9)10-7-16-19(2)8-10)12(20)18-15(14(21)22)5-3-4-6-15/h7-8H,3-6H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyJCRFVTZVHYIZLZ-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.98
Rot. Bonds4

About 1-[[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid

1-[[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 119176691) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-[[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID119176691
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name1-[[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1nc(-c2cnn(C)c2)sc1C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C15H18N4O3S/c1-9-11(23-13(17-9)10-7-16-19(2)8-10)12(20)18-15(14(21)22)5-3-4-6-15/h7-8H,3-6H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyJCRFVTZVHYIZLZ-UHFFFAOYSA-N
XLogP1.98
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]cyclobutyl]acetic acid
CID 119217913
methyl 4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxylate
CID 78916354
1-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]ethanone
CID 61059598
N-(2-amino-2-methylpropyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119626848
4-methyl-N-[2-(methylamino)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 119500921
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 75451531
1-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119113815
1-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119176594
1-[(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 65451578
(2S)-1-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365970
methyl 1-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]cyclohexane-1-carboxylate
CID 119041122
6-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175351

Frequently Asked Questions

What is the IUPAC name of 1-[[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 119176691) is 1-[[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid is Cc1nc(-c2cnn(C)c2)sc1C(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is JCRFVTZVHYIZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-9-11(23-13(17-9)10-7-16-19(2)8-10)12(20)18-15(14(21)22)5-3-4-6-15/h7-8H,3-6H2,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 1-[[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid?
1-[[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 334.40 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 119176691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).