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

C11H12N4O3S — CID 43583178

IUPAC2-[2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCc1n[nH]c(C)c1C(=O)Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C11H12N4O3S/c1-5-9(6(2)15-14-5)10(18)13-11-12-7(4-19-11)3-8(16)17/h4H,3H2,1-2H3,(H,14,15)(H,16,17)(H,12,13,18)
InChIKeyLIENDOQVMGLOBU-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.36
Rot. Bonds4

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

2-[2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 43583178) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-[2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID43583178
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name2-[2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCc1n[nH]c(C)c1C(=O)Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C11H12N4O3S/c1-5-9(6(2)15-14-5)10(18)13-11-12-7(4-19-11)3-8(16)17/h4H,3H2,1-2H3,(H,14,15)(H,16,17)(H,12,13,18)
InChIKeyLIENDOQVMGLOBU-UHFFFAOYSA-N
XLogP1.36
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
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2-[2-(2-methylbutanoylamino)-1,3-thiazol-4-yl]acetic acid
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2-[2-[(3-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid (CID 43583178) is 2-[2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid is Cc1n[nH]c(C)c1C(=O)Nc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is LIENDOQVMGLOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-5-9(6(2)15-14-5)10(18)13-11-12-7(4-19-11)3-8(16)17/h4H,3H2,1-2H3,(H,14,15)(H,16,17)(H,12,13,18).
What are the key properties of 2-[2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 280.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 43583178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).