ethyl 2-[(1-methylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate

C11H12N4O3S — CID 25284673

IUPACethyl 2-[(1-methylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccn(C)n2)n1
InChIInChI=1S/C11H12N4O3S/c1-3-18-10(17)8-6-19-11(12-8)13-9(16)7-4-5-15(2)14-7/h4-6H,3H2,1-2H3,(H,12,13,16)
InChIKeyPNVNVWDDBLUPCG-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.31
Rot. Bonds4

About ethyl 2-[(1-methylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate

ethyl 2-[(1-methylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 25284673) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is ethyl 2-[(1-methylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(1-methylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID25284673
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Nameethyl 2-[(1-methylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccn(C)n2)n1
InChIInChI=1S/C11H12N4O3S/c1-3-18-10(17)8-6-19-11(12-8)13-9(16)7-4-5-15(2)14-7/h4-6H,3H2,1-2H3,(H,12,13,16)
InChIKeyPNVNVWDDBLUPCG-UHFFFAOYSA-N
XLogP1.31
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-methylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(1-methylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate (CID 25284673) is ethyl 2-[(1-methylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(1-methylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(1-methylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2ccn(C)n2)n1.
What is the InChIKey of ethyl 2-[(1-methylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is PNVNVWDDBLUPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-3-18-10(17)8-6-19-11(12-8)13-9(16)7-4-5-15(2)14-7/h4-6H,3H2,1-2H3,(H,12,13,16).
What are the key properties of ethyl 2-[(1-methylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[(1-methylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 280.31 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-methylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 25284673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).