2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole

C12H8ClN3OS — CID 62483848

IUPAC2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole
SMILESCc1cc(Sc2nc3ccccc3o2)nc(Cl)n1
InChIInChI=1S/C12H8ClN3OS/c1-7-6-10(16-11(13)14-7)18-12-15-8-4-2-3-5-9(8)17-12/h2-6H,1H3
InChIKeyFMEHPEKFWURZCB-UHFFFAOYSA-N
MW277.74 g/mol
LogP3.73
Rot. Bonds2

About 2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole

2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole (PubChem CID 62483848) has the molecular formula C12H8ClN3OS and a molecular weight of 277.74 g/mol. Its IUPAC name is 2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole
PubChem CID62483848
Molecular FormulaC12H8ClN3OS
Molecular Weight277.74 g/mol
Exact Mass277.01
IUPAC Name2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole
SMILESCc1cc(Sc2nc3ccccc3o2)nc(Cl)n1
InChIInChI=1S/C12H8ClN3OS/c1-7-6-10(16-11(13)14-7)18-12-15-8-4-2-3-5-9(8)17-12/h2-6H,1H3
InChIKeyFMEHPEKFWURZCB-UHFFFAOYSA-N
XLogP3.73
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.74
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,3-benzoxazol-2-ylsulfanyl)-N,6-dimethylpyrimidin-2-amine
CID 80893922
2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole
CID 80971341
6-(1,3-benzoxazol-2-ylsulfanyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80937330
4-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-1H-imidazol-5-amine
CID 55011762
6-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpyrazin-2-amine
CID 80893597
4-(1,3-benzoxazol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80893034
iodomethane;2-methylsulfanyl-1,3-benzoxazole
CID 69051605
2-(1,3-benzoxazol-2-ylsulfanyl)-5-methylbenzonitrile
CID 107930936
4-(1,3-benzoxazol-2-ylsulfanyl)chromen-2-one
CID 23962876
6-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine
CID 80892797
2-chloro-4-methyl-6-(2-nitrophenyl)sulfanylpyrimidine
CID 62480994
2-(5-bromo-6-chloropyrimidin-4-yl)sulfanyl-1,3-benzoxazole
CID 114071815

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole?
The IUPAC name of 2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole (CID 62483848) is 2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole.
What is the SMILES notation for 2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole?
The canonical SMILES for 2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole is Cc1cc(Sc2nc3ccccc3o2)nc(Cl)n1.
What is the InChIKey of 2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole?
The InChIKey is FMEHPEKFWURZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3OS/c1-7-6-10(16-11(13)14-7)18-12-15-8-4-2-3-5-9(8)17-12/h2-6H,1H3.
What are the key properties of 2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole?
2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole has a molecular weight of 277.74 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole is sourced from PubChem (CID 62483848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).