2-(4-chlorophenyl)-4-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole

C15H12ClN3S2 — CID 2728474

IUPAC2-(4-chlorophenyl)-4-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole
SMILESCSc1nccc(-c2sc(-c3ccc(Cl)cc3)nc2C)n1
InChIInChI=1S/C15H12ClN3S2/c1-9-13(12-7-8-17-15(19-12)20-2)21-14(18-9)10-3-5-11(16)6-4-10/h3-8H,1-2H3
InChIKeyHXORACJRKUGHCT-UHFFFAOYSA-N
MW333.87 g/mol
LogP4.95
Rot. Bonds3

About 2-(4-chlorophenyl)-4-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole

2-(4-chlorophenyl)-4-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole (PubChem CID 2728474) has the molecular formula C15H12ClN3S2 and a molecular weight of 333.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole
PubChem CID2728474
Molecular FormulaC15H12ClN3S2
Molecular Weight333.87 g/mol
Exact Mass333.02
IUPAC Name2-(4-chlorophenyl)-4-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole
SMILESCSc1nccc(-c2sc(-c3ccc(Cl)cc3)nc2C)n1
InChIInChI=1S/C15H12ClN3S2/c1-9-13(12-7-8-17-15(19-12)20-2)21-14(18-9)10-3-5-11(16)6-4-10/h3-8H,1-2H3
InChIKeyHXORACJRKUGHCT-UHFFFAOYSA-N
XLogP4.95
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.87
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole?
The IUPAC name of 2-(4-chlorophenyl)-4-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole (CID 2728474) is 2-(4-chlorophenyl)-4-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-4-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole?
The canonical SMILES for 2-(4-chlorophenyl)-4-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole is CSc1nccc(-c2sc(-c3ccc(Cl)cc3)nc2C)n1.
What is the InChIKey of 2-(4-chlorophenyl)-4-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole?
The InChIKey is HXORACJRKUGHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3S2/c1-9-13(12-7-8-17-15(19-12)20-2)21-14(18-9)10-3-5-11(16)6-4-10/h3-8H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-4-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole?
2-(4-chlorophenyl)-4-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole has a molecular weight of 333.87 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole is sourced from PubChem (CID 2728474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).