2-[3-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid

C12H14N4O3S — CID 120524695

IUPAC2-[3-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCC(C)c1ncc(C(=O)Nc2ccn(CC(=O)O)n2)s1
InChIInChI=1S/C12H14N4O3S/c1-7(2)12-13-5-8(20-12)11(19)14-9-3-4-16(15-9)6-10(17)18/h3-5,7H,6H2,1-2H3,(H,17,18)(H,14,15,19)
InChIKeyJYCLLGNLZORJGT-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.80
Rot. Bonds5

About 2-[3-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid

2-[3-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 120524695) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-[3-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid
PubChem CID120524695
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name2-[3-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCC(C)c1ncc(C(=O)Nc2ccn(CC(=O)O)n2)s1
InChIInChI=1S/C12H14N4O3S/c1-7(2)12-13-5-8(20-12)11(19)14-9-3-4-16(15-9)6-10(17)18/h3-5,7H,6H2,1-2H3,(H,17,18)(H,14,15,19)
InChIKeyJYCLLGNLZORJGT-UHFFFAOYSA-N
XLogP1.80
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 120687319
2-[3-[(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 167878130
2-[3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 119230469
2-[3-[(3-ethylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 119231148
2-[3-(butanoylamino)pyrazol-1-yl]acetic acid
CID 119230770
2-[3-[(3,4,5-trimethoxybenzoyl)amino]pyrazol-1-yl]acetic acid
CID 119230555
2-[3-[[4-(2-methoxyethoxy)benzoyl]amino]pyrazol-1-yl]acetic acid
CID 119231069
2-[3-[[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]pyrazol-1-yl]acetic acid
CID 119231009
2-[3-[(2-ethylpyrazole-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 136552840
2-methyl-2-[4-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]phenyl]propanoic acid
CID 120528728
2-[3-(4,4-dimethylpentanoylamino)pyrazol-1-yl]acetic acid
CID 119230848
8-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]octanoic acid
CID 120535642

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid (CID 120524695) is 2-[3-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid is CC(C)c1ncc(C(=O)Nc2ccn(CC(=O)O)n2)s1.
What is the InChIKey of 2-[3-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is JYCLLGNLZORJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-7(2)12-13-5-8(20-12)11(19)14-9-3-4-16(15-9)6-10(17)18/h3-5,7H,6H2,1-2H3,(H,17,18)(H,14,15,19).
What are the key properties of 2-[3-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid?
2-[3-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 294.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 120524695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).