4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine

C15H14N4OS2 — CID 15603563

IUPAC4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc(N)sc2-c2ccnc(SC)n2)cc1
InChIInChI=1S/C15H14N4OS2/c1-20-10-5-3-9(4-6-10)12-13(22-14(16)19-12)11-7-8-17-15(18-11)21-2/h3-8H,1-2H3,(H2,16,19)
InChIKeyYIVKFFZWOGULRV-UHFFFAOYSA-N
MW330.44 g/mol
LogP3.58
Rot. Bonds4

About 4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine

4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine (PubChem CID 15603563) has the molecular formula C15H14N4OS2 and a molecular weight of 330.44 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine
PubChem CID15603563
Molecular FormulaC15H14N4OS2
Molecular Weight330.44 g/mol
Exact Mass330.06
IUPAC Name4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc(N)sc2-c2ccnc(SC)n2)cc1
InChIInChI=1S/C15H14N4OS2/c1-20-10-5-3-9(4-6-10)12-13(22-14(16)19-12)11-7-8-17-15(18-11)21-2/h3-8H,1-2H3,(H2,16,19)
InChIKeyYIVKFFZWOGULRV-UHFFFAOYSA-N
XLogP3.58
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-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-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine (CID 15603563) is 4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine is COc1ccc(-c2nc(N)sc2-c2ccnc(SC)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine?
The InChIKey is YIVKFFZWOGULRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS2/c1-20-10-5-3-9(4-6-10)12-13(22-14(16)19-12)11-7-8-17-15(18-11)21-2/h3-8H,1-2H3,(H2,16,19).
What are the key properties of 4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine?
4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 330.44 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 15603563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).