N-(1-cyclopropylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide

C13H12N6OS — CID 165130001

IUPACN-(1-cyclopropylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnn(C2CC2)c1)c1csc(-c2ccn[nH]2)n1
InChIInChI=1S/C13H12N6OS/c20-12(16-8-5-15-19(6-8)9-1-2-9)11-7-21-13(17-11)10-3-4-14-18-10/h3-7,9H,1-2H2,(H,14,18)(H,16,20)
InChIKeyCRMWKYARMURJQS-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.32
Rot. Bonds4

About N-(1-cyclopropylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide

N-(1-cyclopropylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 165130001) has the molecular formula C13H12N6OS and a molecular weight of 300.35 g/mol. Its IUPAC name is N-(1-cyclopropylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID165130001
Molecular FormulaC13H12N6OS
Molecular Weight300.35 g/mol
Exact Mass300.08
IUPAC NameN-(1-cyclopropylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnn(C2CC2)c1)c1csc(-c2ccn[nH]2)n1
InChIInChI=1S/C13H12N6OS/c20-12(16-8-5-15-19(6-8)9-1-2-9)11-7-21-13(17-11)10-3-4-14-18-10/h3-7,9H,1-2H2,(H,14,18)(H,16,20)
InChIKeyCRMWKYARMURJQS-UHFFFAOYSA-N
XLogP2.32
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1-cyclopropylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-cyclopropylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide (CID 165130001) is N-(1-cyclopropylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-cyclopropylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-cyclopropylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1cnn(C2CC2)c1)c1csc(-c2ccn[nH]2)n1.
What is the InChIKey of N-(1-cyclopropylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is CRMWKYARMURJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6OS/c20-12(16-8-5-15-19(6-8)9-1-2-9)11-7-21-13(17-11)10-3-4-14-18-10/h3-7,9H,1-2H2,(H,14,18)(H,16,20).
What are the key properties of N-(1-cyclopropylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide?
N-(1-cyclopropylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 300.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 165130001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).