2-[3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid

C11H12N4O3S — CID 119230469

IUPAC2-[3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCc1nc(C)c(C(=O)Nc2ccn(CC(=O)O)n2)s1
InChIInChI=1S/C11H12N4O3S/c1-6-10(19-7(2)12-6)11(18)13-8-3-4-15(14-8)5-9(16)17/h3-4H,5H2,1-2H3,(H,16,17)(H,13,14,18)
InChIKeyWEZHXEMNDZOTME-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.29
Rot. Bonds4

About 2-[3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid

2-[3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 119230469) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-[3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid
PubChem CID119230469
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name2-[3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCc1nc(C)c(C(=O)Nc2ccn(CC(=O)O)n2)s1
InChIInChI=1S/C11H12N4O3S/c1-6-10(19-7(2)12-6)11(18)13-8-3-4-15(14-8)5-9(16)17/h3-4H,5H2,1-2H3,(H,16,17)(H,13,14,18)
InChIKeyWEZHXEMNDZOTME-UHFFFAOYSA-N
XLogP1.29
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[(3-ethylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 119231148
6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyridine-3-carboxylic acid
CID 61317360
2-[3-[(2-ethylpyrazole-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 136552840
2-[3-(butanoylamino)pyrazol-1-yl]acetic acid
CID 119230770
2-[3-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 120524695
2-[3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 119230516
N-(5-chloro-2-pyridinyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47019747
2-[3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 120687319
2-amino-4-methyl-N-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 62794451
2-[3-(4,4-dimethylpentanoylamino)pyrazol-1-yl]acetic acid
CID 119230848
2-[3-[[4-(2-methoxyethoxy)benzoyl]amino]pyrazol-1-yl]acetic acid
CID 119231069
2-[3-[(3,4,5-trimethoxybenzoyl)amino]pyrazol-1-yl]acetic acid
CID 119230555

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid (CID 119230469) is 2-[3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid is Cc1nc(C)c(C(=O)Nc2ccn(CC(=O)O)n2)s1.
What is the InChIKey of 2-[3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is WEZHXEMNDZOTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-6-10(19-7(2)12-6)11(18)13-8-3-4-15(14-8)5-9(16)17/h3-4H,5H2,1-2H3,(H,16,17)(H,13,14,18).
What are the key properties of 2-[3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid?
2-[3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 280.31 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119230469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).