2-chloro-4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole

C15H12ClN3OS2 — CID 15603902

IUPAC2-chloro-4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(Cl)sc2-c2ccnc(SC)n2)cc1
InChIInChI=1S/C15H12ClN3OS2/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
InChIKeyXKCPQEKVRWJFRC-UHFFFAOYSA-N
MW349.87 g/mol
LogP4.65
Rot. Bonds4

About 2-chloro-4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole

2-chloro-4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole (PubChem CID 15603902) has the molecular formula C15H12ClN3OS2 and a molecular weight of 349.87 g/mol. Its IUPAC name is 2-chloro-4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole
PubChem CID15603902
Molecular FormulaC15H12ClN3OS2
Molecular Weight349.87 g/mol
Exact Mass349.01
IUPAC Name2-chloro-4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(Cl)sc2-c2ccnc(SC)n2)cc1
InChIInChI=1S/C15H12ClN3OS2/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
InChIKeyXKCPQEKVRWJFRC-UHFFFAOYSA-N
XLogP4.65
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole?
The IUPAC name of 2-chloro-4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole (CID 15603902) is 2-chloro-4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole?
The canonical SMILES for 2-chloro-4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole is COc1ccc(-c2nc(Cl)sc2-c2ccnc(SC)n2)cc1.
What is the InChIKey of 2-chloro-4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole?
The InChIKey is XKCPQEKVRWJFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS2/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.
What are the key properties of 2-chloro-4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole?
2-chloro-4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole has a molecular weight of 349.87 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole is sourced from PubChem (CID 15603902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).