2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid

C12H14N4O3S — CID 102810057

IUPAC2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCCc1nn(C)cc1C(=O)Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C12H14N4O3S/c1-3-9-8(5-16(2)15-9)11(19)14-12-13-7(6-20-12)4-10(17)18/h5-6H,3-4H2,1-2H3,(H,17,18)(H,13,14,19)
InChIKeyHNKYDADOHVTYAK-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.32
Rot. Bonds5

About 2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid

2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 102810057) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID102810057
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCCc1nn(C)cc1C(=O)Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C12H14N4O3S/c1-3-9-8(5-16(2)15-9)11(19)14-12-13-7(6-20-12)4-10(17)18/h5-6H,3-4H2,1-2H3,(H,17,18)(H,13,14,19)
InChIKeyHNKYDADOHVTYAK-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 112672169
2-[2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 28777667
2-[2-[(2-chlorofuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 106683297
2-[2-[[4-(methylsulfanylmethyl)benzoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 43242168
2-[2-[(2-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 106860455
2-[2-(2-methylbutanoylamino)-1,3-thiazol-4-yl]acetic acid
CID 16791992
2-[2-[(1-methylpyrazol-4-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 80575860
2-[2-[[6-ethyl-1-[(4-hydroxyphenyl)methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 87848648
N-(4-acetyl-1,3-thiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 113235351
2-[2-(furan-3-carbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 16774692
2-[2-[(4-iodobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 43089417
2-[2-(thiadiazole-4-carbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 62032288

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid (CID 102810057) is 2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid is CCc1nn(C)cc1C(=O)Nc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is HNKYDADOHVTYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-3-9-8(5-16(2)15-9)11(19)14-12-13-7(6-20-12)4-10(17)18/h5-6H,3-4H2,1-2H3,(H,17,18)(H,13,14,19).
What are the key properties of 2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 294.34 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 102810057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).