3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide

C18H14N6OS — CID 50983519

IUPAC3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1csc(-c2ncccn2)n1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C18H14N6OS/c25-17(15-9-14(23-24-15)12-5-2-1-3-6-12)21-10-13-11-26-18(22-13)16-19-7-4-8-20-16/h1-9,11H,10H2,(H,21,25)(H,23,24)
InChIKeyFGLUVNASRIIPQC-UHFFFAOYSA-N
MW362.42 g/mol
LogP2.92
Rot. Bonds5

About 3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide

3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 50983519) has the molecular formula C18H14N6OS and a molecular weight of 362.42 g/mol. Its IUPAC name is 3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID50983519
Molecular FormulaC18H14N6OS
Molecular Weight362.42 g/mol
Exact Mass362.09
IUPAC Name3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1csc(-c2ncccn2)n1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C18H14N6OS/c25-17(15-9-14(23-24-15)12-5-2-1-3-6-12)21-10-13-11-26-18(22-13)16-19-7-4-8-20-16/h1-9,11H,10H2,(H,21,25)(H,23,24)
InChIKeyFGLUVNASRIIPQC-UHFFFAOYSA-N
XLogP2.92
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-oxo-2-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 91771220
N-[(3-fluoro-2-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 166179922
N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087401
3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 121165402
2-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 50959390
N-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 17499235
N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889561
2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 118877078
N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43392945
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 17164666
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
CID 17164693
N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1,3-thiazole-2-carboxamide
CID 122190961

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide (CID 50983519) is 3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide is O=C(NCc1csc(-c2ncccn2)n1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is FGLUVNASRIIPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6OS/c25-17(15-9-14(23-24-15)12-5-2-1-3-6-12)21-10-13-11-26-18(22-13)16-19-7-4-8-20-16/h1-9,11H,10H2,(H,21,25)(H,23,24).
What are the key properties of 3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 362.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 50983519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).