N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]cyclopropanecarboxamide

C15H14N4OS2 — CID 42109155

IUPACN-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]cyclopropanecarboxamide
SMILESCc1cc(NC(=O)C2CC2)n(-c2nc(-c3cccs3)cs2)n1
InChIInChI=1S/C15H14N4OS2/c1-9-7-13(17-14(20)10-4-5-10)19(18-9)15-16-11(8-22-15)12-3-2-6-21-12/h2-3,6-8,10H,4-5H2,1H3,(H,17,20)
InChIKeyCDTWPVIYOCJYRY-UHFFFAOYSA-N
MW330.44 g/mol
LogP3.71
Rot. Bonds4

About N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]cyclopropanecarboxamide

N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 42109155) has the molecular formula C15H14N4OS2 and a molecular weight of 330.44 g/mol. Its IUPAC name is N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID42109155
Molecular FormulaC15H14N4OS2
Molecular Weight330.44 g/mol
Exact Mass330.06
IUPAC NameN-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]cyclopropanecarboxamide
SMILESCc1cc(NC(=O)C2CC2)n(-c2nc(-c3cccs3)cs2)n1
InChIInChI=1S/C15H14N4OS2/c1-9-7-13(17-14(20)10-4-5-10)19(18-9)15-16-11(8-22-15)12-3-2-6-21-12/h2-3,6-8,10H,4-5H2,1H3,(H,17,20)
InChIKeyCDTWPVIYOCJYRY-UHFFFAOYSA-N
XLogP3.71
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]cyclopropanecarboxamide (CID 42109155) is N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]cyclopropanecarboxamide is Cc1cc(NC(=O)C2CC2)n(-c2nc(-c3cccs3)cs2)n1.
What is the InChIKey of N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is CDTWPVIYOCJYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS2/c1-9-7-13(17-14(20)10-4-5-10)19(18-9)15-16-11(8-22-15)12-3-2-6-21-12/h2-3,6-8,10H,4-5H2,1H3,(H,17,20).
What are the key properties of N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]cyclopropanecarboxamide?
N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 330.44 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 42109155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).