methyl 5-(propanoylamino)-4-(1H-pyrazol-4-yl)-1,3-thiazole-2-carboxylate

C11H12N4O3S — CID 69470098

IUPACmethyl 5-(propanoylamino)-4-(1H-pyrazol-4-yl)-1,3-thiazole-2-carboxylate
SMILESCCC(=O)Nc1sc(C(=O)OC)nc1-c1cn[nH]c1
InChIInChI=1S/C11H12N4O3S/c1-3-7(16)14-9-8(6-4-12-13-5-6)15-10(19-9)11(17)18-2/h4-5H,3H2,1-2H3,(H,12,13)(H,14,16)
InChIKeyPMQVECZTKKVULN-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.67
Rot. Bonds4

About methyl 5-(propanoylamino)-4-(1H-pyrazol-4-yl)-1,3-thiazole-2-carboxylate

methyl 5-(propanoylamino)-4-(1H-pyrazol-4-yl)-1,3-thiazole-2-carboxylate (PubChem CID 69470098) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is methyl 5-(propanoylamino)-4-(1H-pyrazol-4-yl)-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(propanoylamino)-4-(1H-pyrazol-4-yl)-1,3-thiazole-2-carboxylate
PubChem CID69470098
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Namemethyl 5-(propanoylamino)-4-(1H-pyrazol-4-yl)-1,3-thiazole-2-carboxylate
SMILESCCC(=O)Nc1sc(C(=O)OC)nc1-c1cn[nH]c1
InChIInChI=1S/C11H12N4O3S/c1-3-7(16)14-9-8(6-4-12-13-5-6)15-10(19-9)11(17)18-2/h4-5H,3H2,1-2H3,(H,12,13)(H,14,16)
InChIKeyPMQVECZTKKVULN-UHFFFAOYSA-N
XLogP1.67
TPSA96.97 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 ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 106216641

Frequently Asked Questions

What is the IUPAC name of methyl 5-(propanoylamino)-4-(1H-pyrazol-4-yl)-1,3-thiazole-2-carboxylate?
The IUPAC name of methyl 5-(propanoylamino)-4-(1H-pyrazol-4-yl)-1,3-thiazole-2-carboxylate (CID 69470098) is methyl 5-(propanoylamino)-4-(1H-pyrazol-4-yl)-1,3-thiazole-2-carboxylate.
What is the SMILES notation for methyl 5-(propanoylamino)-4-(1H-pyrazol-4-yl)-1,3-thiazole-2-carboxylate?
The canonical SMILES for methyl 5-(propanoylamino)-4-(1H-pyrazol-4-yl)-1,3-thiazole-2-carboxylate is CCC(=O)Nc1sc(C(=O)OC)nc1-c1cn[nH]c1.
What is the InChIKey of methyl 5-(propanoylamino)-4-(1H-pyrazol-4-yl)-1,3-thiazole-2-carboxylate?
The InChIKey is PMQVECZTKKVULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-3-7(16)14-9-8(6-4-12-13-5-6)15-10(19-9)11(17)18-2/h4-5H,3H2,1-2H3,(H,12,13)(H,14,16).
What are the key properties of methyl 5-(propanoylamino)-4-(1H-pyrazol-4-yl)-1,3-thiazole-2-carboxylate?
methyl 5-(propanoylamino)-4-(1H-pyrazol-4-yl)-1,3-thiazole-2-carboxylate has a molecular weight of 280.31 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(propanoylamino)-4-(1H-pyrazol-4-yl)-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 69470098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).