3-methyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,2-thiazole-4-carboxamide

C13H12N4OS2 — CID 75501053

IUPAC3-methyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)Nc1ccnn1Cc1ccsc1
InChIInChI=1S/C13H12N4OS2/c1-9-11(8-20-16-9)13(18)15-12-2-4-14-17(12)6-10-3-5-19-7-10/h2-5,7-8H,6H2,1H3,(H,15,18)
InChIKeyYUWCHERVJSRIRY-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.01
Rot. Bonds4

About 3-methyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,2-thiazole-4-carboxamide

3-methyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,2-thiazole-4-carboxamide (PubChem CID 75501053) has the molecular formula C13H12N4OS2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 3-methyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,2-thiazole-4-carboxamide
PubChem CID75501053
Molecular FormulaC13H12N4OS2
Molecular Weight304.40 g/mol
Exact Mass304.05
IUPAC Name3-methyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)Nc1ccnn1Cc1ccsc1
InChIInChI=1S/C13H12N4OS2/c1-9-11(8-20-16-9)13(18)15-12-2-4-14-17(12)6-10-3-5-19-7-10/h2-5,7-8H,6H2,1H3,(H,15,18)
InChIKeyYUWCHERVJSRIRY-UHFFFAOYSA-N
XLogP3.01
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,2-thiazole-4-carboxamide (CID 75501053) is 3-methyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,2-thiazole-4-carboxamide is Cc1nscc1C(=O)Nc1ccnn1Cc1ccsc1.
What is the InChIKey of 3-methyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,2-thiazole-4-carboxamide?
The InChIKey is YUWCHERVJSRIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS2/c1-9-11(8-20-16-9)13(18)15-12-2-4-14-17(12)6-10-3-5-19-7-10/h2-5,7-8H,6H2,1H3,(H,15,18).
What are the key properties of 3-methyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,2-thiazole-4-carboxamide?
3-methyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,2-thiazole-4-carboxamide has a molecular weight of 304.40 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 75501053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).