4-methyl-N-phenyl-5-pyrimidin-4-yl-1,3-thiazol-2-amine

C14H12N4S — CID 141131243

IUPAC4-methyl-N-phenyl-5-pyrimidin-4-yl-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ccccc2)sc1-c1ccncn1
InChIInChI=1S/C14H12N4S/c1-10-13(12-7-8-15-9-16-12)19-14(17-10)18-11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18)
InChIKeyJHSVOUYYDKBHMW-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.65
Rot. Bonds3

About 4-methyl-N-phenyl-5-pyrimidin-4-yl-1,3-thiazol-2-amine

4-methyl-N-phenyl-5-pyrimidin-4-yl-1,3-thiazol-2-amine (PubChem CID 141131243) has the molecular formula C14H12N4S and a molecular weight of 268.35 g/mol. Its IUPAC name is 4-methyl-N-phenyl-5-pyrimidin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-phenyl-5-pyrimidin-4-yl-1,3-thiazol-2-amine
PubChem CID141131243
Molecular FormulaC14H12N4S
Molecular Weight268.35 g/mol
Exact Mass268.08
IUPAC Name4-methyl-N-phenyl-5-pyrimidin-4-yl-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ccccc2)sc1-c1ccncn1
InChIInChI=1S/C14H12N4S/c1-10-13(12-7-8-15-9-16-12)19-14(17-10)18-11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18)
InChIKeyJHSVOUYYDKBHMW-UHFFFAOYSA-N
XLogP3.65
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-phenyl-5-pyrimidin-4-yl-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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-phenyl-5-pyrimidin-4-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-phenyl-5-pyrimidin-4-yl-1,3-thiazol-2-amine (CID 141131243) is 4-methyl-N-phenyl-5-pyrimidin-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-phenyl-5-pyrimidin-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-phenyl-5-pyrimidin-4-yl-1,3-thiazol-2-amine is Cc1nc(Nc2ccccc2)sc1-c1ccncn1.
What is the InChIKey of 4-methyl-N-phenyl-5-pyrimidin-4-yl-1,3-thiazol-2-amine?
The InChIKey is JHSVOUYYDKBHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S/c1-10-13(12-7-8-15-9-16-12)19-14(17-10)18-11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18).
What are the key properties of 4-methyl-N-phenyl-5-pyrimidin-4-yl-1,3-thiazol-2-amine?
4-methyl-N-phenyl-5-pyrimidin-4-yl-1,3-thiazol-2-amine has a molecular weight of 268.35 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-phenyl-5-pyrimidin-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 141131243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).