N-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine

C13H12N4S — CID 113224886

IUPACN-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine
SMILESc1ccc(-n2ccc(CNc3nccs3)n2)cc1
InChIInChI=1S/C13H12N4S/c1-2-4-12(5-3-1)17-8-6-11(16-17)10-15-13-14-7-9-18-13/h1-9H,10H2,(H,14,15)
InChIKeyWWLGQLWBAOIENC-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.94
Rot. Bonds4

About N-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine

N-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 113224886) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine
PubChem CID113224886
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC NameN-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine
SMILESc1ccc(-n2ccc(CNc3nccs3)n2)cc1
InChIInChI=1S/C13H12N4S/c1-2-4-12(5-3-1)17-8-6-11(16-17)10-15-13-14-7-9-18-13/h1-9H,10H2,(H,14,15)
InChIKeyWWLGQLWBAOIENC-UHFFFAOYSA-N
XLogP2.94
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine 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

N-[(1-phenylpyrazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103714694
N-[(1-phenylpyrazol-3-yl)methyl]-5-pyridin-2-yl-1H-1,2,4-triazol-3-amine
CID 137429886
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(1-phenylpyrazol-3-yl)methanamine
CID 103908833
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-phenylpyrazol-3-yl)methanamine
CID 62885165
[1-(1-phenylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105324589
1-(1-phenylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 105115204
N-(1H-imidazol-2-ylmethyl)-1-(1-phenylpyrazol-3-yl)methanamine
CID 78922115
3-methyl-N-[(1-phenylpyrazol-3-yl)methyl]butan-1-amine
CID 62887084
3-bromo-2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]aniline
CID 107630219
2-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid
CID 65264157
2-(1-phenylpyrazol-3-yl)acetaldehyde
CID 86021167
3-methyl-4-[(1-phenylpyrazol-3-yl)methylamino]phenol
CID 83089922

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine (CID 113224886) is N-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine is c1ccc(-n2ccc(CNc3nccs3)n2)cc1.
What is the InChIKey of N-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is WWLGQLWBAOIENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-2-4-12(5-3-1)17-8-6-11(16-17)10-15-13-14-7-9-18-13/h1-9H,10H2,(H,14,15).
What are the key properties of N-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine?
N-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 256.33 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 113224886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).