[4-[(4-phenylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine

C14H14N4S — CID 62769754

IUPAC[4-[(4-phenylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(Cn2cc(-c3ccccc3)cn2)cs1
InChIInChI=1S/C14H14N4S/c15-6-14-17-13(10-19-14)9-18-8-12(7-16-18)11-4-2-1-3-5-11/h1-5,7-8,10H,6,9,15H2
InChIKeyCZVYUOCCBATWPE-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.51
Rot. Bonds4

About [4-[(4-phenylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine

[4-[(4-phenylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine (PubChem CID 62769754) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is [4-[(4-phenylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(4-phenylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
PubChem CID62769754
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name[4-[(4-phenylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(Cn2cc(-c3ccccc3)cn2)cs1
InChIInChI=1S/C14H14N4S/c15-6-14-17-13(10-19-14)9-18-8-12(7-16-18)11-4-2-1-3-5-11/h1-5,7-8,10H,6,9,15H2
InChIKeyCZVYUOCCBATWPE-UHFFFAOYSA-N
XLogP2.51
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(4-phenylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine 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 [4-[(4-phenylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-[(4-phenylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine (CID 62769754) is [4-[(4-phenylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-[(4-phenylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-[(4-phenylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine is NCc1nc(Cn2cc(-c3ccccc3)cn2)cs1.
What is the InChIKey of [4-[(4-phenylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is CZVYUOCCBATWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c15-6-14-17-13(10-19-14)9-18-8-12(7-16-18)11-4-2-1-3-5-11/h1-5,7-8,10H,6,9,15H2.
What are the key properties of [4-[(4-phenylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine?
[4-[(4-phenylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 270.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-phenylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 62769754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).