2-[2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid

C11H12N4O3S — CID 28777667

IUPAC2-[2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCc1c(C(=O)Nc2nc(CC(=O)O)cs2)cnn1C
InChIInChI=1S/C11H12N4O3S/c1-6-8(4-12-15(6)2)10(18)14-11-13-7(5-19-11)3-9(16)17/h4-5H,3H2,1-2H3,(H,16,17)(H,13,14,18)
InChIKeyMIRNEJHJOLPIRZ-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.06
Rot. Bonds4

About 2-[2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid

2-[2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 28777667) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-[2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID28777667
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name2-[2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCc1c(C(=O)Nc2nc(CC(=O)O)cs2)cnn1C
InChIInChI=1S/C11H12N4O3S/c1-6-8(4-12-15(6)2)10(18)14-11-13-7(5-19-11)3-9(16)17/h4-5H,3H2,1-2H3,(H,16,17)(H,13,14,18)
InChIKeyMIRNEJHJOLPIRZ-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 60716951
2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 102810057
ethyl 2-[2-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 19280753
2-[2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 103790076
2-[2-[(2-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 106860455
2-[2-[(2-chlorofuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 106683297
2-[2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 43583178
2-[2-(furan-3-carbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 16774692
ethyl 2-[2-[(4-bromo-1-methylpyrazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 19475057
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
2-[2-[(5-bromopyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 62960563

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid (CID 28777667) is 2-[2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid is Cc1c(C(=O)Nc2nc(CC(=O)O)cs2)cnn1C.
What is the InChIKey of 2-[2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is MIRNEJHJOLPIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-6-8(4-12-15(6)2)10(18)14-11-13-7(5-19-11)3-9(16)17/h4-5H,3H2,1-2H3,(H,16,17)(H,13,14,18).
What are the key properties of 2-[2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 280.31 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 28777667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).