2-methylsulfanyl-6-(1,3-thiazol-4-yl)-1,3-benzoxazole

C11H8N2OS2 — CID 155083740

IUPAC2-methylsulfanyl-6-(1,3-thiazol-4-yl)-1,3-benzoxazole
SMILESCSc1nc2ccc(-c3cscn3)cc2o1
InChIInChI=1S/C11H8N2OS2/c1-15-11-13-8-3-2-7(4-10(8)14-11)9-5-16-6-12-9/h2-6H,1H3
InChIKeyUMLHCSGIWANURH-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.67
Rot. Bonds2

About 2-methylsulfanyl-6-(1,3-thiazol-4-yl)-1,3-benzoxazole

2-methylsulfanyl-6-(1,3-thiazol-4-yl)-1,3-benzoxazole (PubChem CID 155083740) has the molecular formula C11H8N2OS2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-methylsulfanyl-6-(1,3-thiazol-4-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-methylsulfanyl-6-(1,3-thiazol-4-yl)-1,3-benzoxazole
PubChem CID155083740
Molecular FormulaC11H8N2OS2
Molecular Weight248.33 g/mol
Exact Mass248.01
IUPAC Name2-methylsulfanyl-6-(1,3-thiazol-4-yl)-1,3-benzoxazole
SMILESCSc1nc2ccc(-c3cscn3)cc2o1
InChIInChI=1S/C11H8N2OS2/c1-15-11-13-8-3-2-7(4-10(8)14-11)9-5-16-6-12-9/h2-6H,1H3
InChIKeyUMLHCSGIWANURH-UHFFFAOYSA-N
XLogP3.67
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylsulfanyl-6-(trifluoromethylsulfanyl)-1,3-benzoxazole
CID 119007378
2-(2-methylsulfanyl-1,3-benzoxazol-6-yl)acetonitrile
CID 118848980
iodomethane;2-methylsulfanyl-1,3-benzoxazole
CID 69051605
methyl 2-methylsulfanyl-1,3-benzoxazole-6-carboxylate
CID 59603330
6-(2-chloropyrimidin-4-yl)-2-methyl-1,3-benzoxazole
CID 116904381
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazole
CID 82129027
2-ethyl-4-(1,3-thiazol-4-yl)aniline
CID 130905421
4-(4-ethylphenyl)-1,3-thiazole
CID 3919361
N-[1-(2-methylsulfanyl-1,3-benzoxazol-6-yl)ethyl]acetamide
CID 130472766
2-fluoro-5-(1,3-thiazol-4-yl)benzoic acid
CID 130878805
4-(3,4,5-trimethylphenyl)-1,3-thiazole
CID 174513001
[3-(1,3-thiazol-4-yl)phenyl]boronic acid
CID 67212303

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6-(1,3-thiazol-4-yl)-1,3-benzoxazole?
The IUPAC name of 2-methylsulfanyl-6-(1,3-thiazol-4-yl)-1,3-benzoxazole (CID 155083740) is 2-methylsulfanyl-6-(1,3-thiazol-4-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-methylsulfanyl-6-(1,3-thiazol-4-yl)-1,3-benzoxazole?
The canonical SMILES for 2-methylsulfanyl-6-(1,3-thiazol-4-yl)-1,3-benzoxazole is CSc1nc2ccc(-c3cscn3)cc2o1.
What is the InChIKey of 2-methylsulfanyl-6-(1,3-thiazol-4-yl)-1,3-benzoxazole?
The InChIKey is UMLHCSGIWANURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS2/c1-15-11-13-8-3-2-7(4-10(8)14-11)9-5-16-6-12-9/h2-6H,1H3.
What are the key properties of 2-methylsulfanyl-6-(1,3-thiazol-4-yl)-1,3-benzoxazole?
2-methylsulfanyl-6-(1,3-thiazol-4-yl)-1,3-benzoxazole has a molecular weight of 248.33 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6-(1,3-thiazol-4-yl)-1,3-benzoxazole is sourced from PubChem (CID 155083740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).