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

C12H14N4O3S — CID 119187518

IUPAC2-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
SMILESCn1cc(-c2nc(C(=O)NC(C)(C)C(=O)O)cs2)cn1
InChIInChI=1S/C12H14N4O3S/c1-12(2,11(18)19)15-9(17)8-6-20-10(14-8)7-4-13-16(3)5-7/h4-6H,1-3H3,(H,15,17)(H,18,19)
InChIKeyPSWBCVWWJJOYAL-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.14
Rot. Bonds4

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

2-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid (PubChem CID 119187518) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
PubChem CID119187518
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name2-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
SMILESCn1cc(-c2nc(C(=O)NC(C)(C)C(=O)O)cs2)cn1
InChIInChI=1S/C12H14N4O3S/c1-12(2,11(18)19)15-9(17)8-6-20-10(14-8)7-4-13-16(3)5-7/h4-6H,1-3H3,(H,15,17)(H,18,19)
InChIKeyPSWBCVWWJJOYAL-UHFFFAOYSA-N
XLogP1.14
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 78887275
N-(2-hydroxy-2,3-dimethylbutyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 111484287
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 87002068
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 111543015
N-(2-benzamidophenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55933624
5-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119234517
N-(4-hydroxycyclohexyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 75361451
(2R)-4-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119363400
N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 94442508
N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 86866208
N'-benzyl-2-(1-methylpyrazol-4-yl)-N'-phenyl-1,3-thiazole-4-carbohydrazide
CID 55786551
2,2-dimethyl-1-[4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]propan-1-one
CID 55792143

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid (CID 119187518) is 2-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid is Cn1cc(-c2nc(C(=O)NC(C)(C)C(=O)O)cs2)cn1.
What is the InChIKey of 2-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid?
The InChIKey is PSWBCVWWJJOYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-12(2,11(18)19)15-9(17)8-6-20-10(14-8)7-4-13-16(3)5-7/h4-6H,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 2-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid?
2-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid has a molecular weight of 294.34 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119187518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).