3-(2-methyl-1,3-thiazol-4-yl)-N-(1H-pyrazol-4-yl)cyclopenta-1,3-diene-1-carboxamide

C13H12N4OS — CID 160878382

IUPAC3-(2-methyl-1,3-thiazol-4-yl)-N-(1H-pyrazol-4-yl)cyclopenta-1,3-diene-1-carboxamide
SMILESCc1nc(C2=CCC(C(=O)Nc3cn[nH]c3)=C2)cs1
InChIInChI=1S/C13H12N4OS/c1-8-16-12(7-19-8)9-2-3-10(4-9)13(18)17-11-5-14-15-6-11/h2,4-7H,3H2,1H3,(H,14,15)(H,17,18)
InChIKeySMRXCPYJPDNCAK-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.53
Rot. Bonds3

About 3-(2-methyl-1,3-thiazol-4-yl)-N-(1H-pyrazol-4-yl)cyclopenta-1,3-diene-1-carboxamide

3-(2-methyl-1,3-thiazol-4-yl)-N-(1H-pyrazol-4-yl)cyclopenta-1,3-diene-1-carboxamide (PubChem CID 160878382) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-(2-methyl-1,3-thiazol-4-yl)-N-(1H-pyrazol-4-yl)cyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name3-(2-methyl-1,3-thiazol-4-yl)-N-(1H-pyrazol-4-yl)cyclopenta-1,3-diene-1-carboxamide
PubChem CID160878382
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name3-(2-methyl-1,3-thiazol-4-yl)-N-(1H-pyrazol-4-yl)cyclopenta-1,3-diene-1-carboxamide
SMILESCc1nc(C2=CCC(C(=O)Nc3cn[nH]c3)=C2)cs1
InChIInChI=1S/C13H12N4OS/c1-8-16-12(7-19-8)9-2-3-10(4-9)13(18)17-11-5-14-15-6-11/h2,4-7H,3H2,1H3,(H,14,15)(H,17,18)
InChIKeySMRXCPYJPDNCAK-UHFFFAOYSA-N
XLogP2.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-N-(1H-pyrazol-4-yl)cyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-N-(1H-pyrazol-4-yl)cyclopenta-1,3-diene-1-carboxamide (CID 160878382) is 3-(2-methyl-1,3-thiazol-4-yl)-N-(1H-pyrazol-4-yl)cyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for 3-(2-methyl-1,3-thiazol-4-yl)-N-(1H-pyrazol-4-yl)cyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for 3-(2-methyl-1,3-thiazol-4-yl)-N-(1H-pyrazol-4-yl)cyclopenta-1,3-diene-1-carboxamide is Cc1nc(C2=CCC(C(=O)Nc3cn[nH]c3)=C2)cs1.
What is the InChIKey of 3-(2-methyl-1,3-thiazol-4-yl)-N-(1H-pyrazol-4-yl)cyclopenta-1,3-diene-1-carboxamide?
The InChIKey is SMRXCPYJPDNCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-8-16-12(7-19-8)9-2-3-10(4-9)13(18)17-11-5-14-15-6-11/h2,4-7H,3H2,1H3,(H,14,15)(H,17,18).
What are the key properties of 3-(2-methyl-1,3-thiazol-4-yl)-N-(1H-pyrazol-4-yl)cyclopenta-1,3-diene-1-carboxamide?
3-(2-methyl-1,3-thiazol-4-yl)-N-(1H-pyrazol-4-yl)cyclopenta-1,3-diene-1-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-thiazol-4-yl)-N-(1H-pyrazol-4-yl)cyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 160878382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).