5-methyl-3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazole

C15H13N3S — CID 142938168

IUPAC5-methyl-3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazole
SMILESCc1ccc(-c2nsc(C)c2-c2ccncn2)cc1
InChIInChI=1S/C15H13N3S/c1-10-3-5-12(6-4-10)15-14(11(2)19-18-15)13-7-8-16-9-17-13/h3-9H,1-2H3
InChIKeyAAFAJTFQLLCGIB-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.88
Rot. Bonds2

About 5-methyl-3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazole

5-methyl-3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazole (PubChem CID 142938168) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is 5-methyl-3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazole.

Molecular Properties

Compound Name5-methyl-3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazole
PubChem CID142938168
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name5-methyl-3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazole
SMILESCc1ccc(-c2nsc(C)c2-c2ccncn2)cc1
InChIInChI=1S/C15H13N3S/c1-10-3-5-12(6-4-10)15-14(11(2)19-18-15)13-7-8-16-9-17-13/h3-9H,1-2H3
InChIKeyAAFAJTFQLLCGIB-UHFFFAOYSA-N
XLogP3.88
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-1-[4-[3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazol-5-yl]piperidin-1-yl]ethanone
CID 142225807
4-[3-[4-(dimethyl-λ3-iodanyl)phenyl]-4-pyrimidin-4-yl-1,2-thiazol-5-yl]-N-propan-2-yl-N-propylcyclohexan-1-amine;ethane
CID 142840718
ethane;4-(3-methylphenyl)pyrimidine
CID 178100798
ethane;4-(3-methylphenyl)pyrimidine
CID 144572009
pyrrolo[3,2-d][1,3]diazepine
CID 70359339
N,N-dimethyl-2-[3-(4-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanamine
CID 141081122
hydron;4-methylpyrimidine
CID 174915530
4-(3-methylthiophen-2-yl)pyrimidine
CID 129068181
3-pyrimidin-4-yl-1,2-thiazole
CID 91474403
2-methyl-4-pyrimidin-4-ylpyrimidine
CID 54062248
4-[4-(4-bromophenyl)phenyl]pyrimidine
CID 174799643
3-(4-fluorophenyl)-5-pyrimidin-4-yl-1H-indazole
CID 90732532

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazole?
The IUPAC name of 5-methyl-3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazole (CID 142938168) is 5-methyl-3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazole.
What is the SMILES notation for 5-methyl-3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazole?
The canonical SMILES for 5-methyl-3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazole is Cc1ccc(-c2nsc(C)c2-c2ccncn2)cc1.
What is the InChIKey of 5-methyl-3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazole?
The InChIKey is AAFAJTFQLLCGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c1-10-3-5-12(6-4-10)15-14(11(2)19-18-15)13-7-8-16-9-17-13/h3-9H,1-2H3.
What are the key properties of 5-methyl-3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazole?
5-methyl-3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazole has a molecular weight of 267.36 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazole is sourced from PubChem (CID 142938168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).