2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone

C19H14N2O2S2 — CID 1477677

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
SMILESCc1nc(-c2ccccc2)sc1C(=O)CSc1nc2ccccc2o1
InChIInChI=1S/C19H14N2O2S2/c1-12-17(25-18(20-12)13-7-3-2-4-8-13)15(22)11-24-19-21-14-9-5-6-10-16(14)23-19/h2-10H,11H2,1H3
InChIKeyWBILINMDTPQLEW-UHFFFAOYSA-N
MW366.47 g/mol
LogP5.23
Rot. Bonds5

About 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone

2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone (PubChem CID 1477677) has the molecular formula C19H14N2O2S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
PubChem CID1477677
Molecular FormulaC19H14N2O2S2
Molecular Weight366.47 g/mol
Exact Mass366.05
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
SMILESCc1nc(-c2ccccc2)sc1C(=O)CSc1nc2ccccc2o1
InChIInChI=1S/C19H14N2O2S2/c1-12-17(25-18(20-12)13-7-3-2-4-8-13)15(22)11-24-19-21-14-9-5-6-10-16(14)23-19/h2-10H,11H2,1H3
InChIKeyWBILINMDTPQLEW-UHFFFAOYSA-N
XLogP5.23
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone with MolForge

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Related Compounds

N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 4792243
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-phenylphenyl)ethanone
CID 602357
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(5-ethylthiophen-2-yl)ethanone
CID 43222095
2-(2,3-dichlorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
CID 3798863
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 1018895
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-hydroxy-5-methylphenyl)ethanone
CID 5012767
4-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-3-methylbutanoic acid
CID 81064879
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 86979352
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)ethanone
CID 127044196
4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 4319506
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-4-phenylbenzohydrazide
CID 9471511
2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-propan-2-ylacetamide
CID 52888357

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone (CID 1477677) is 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone is Cc1nc(-c2ccccc2)sc1C(=O)CSc1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone?
The InChIKey is WBILINMDTPQLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S2/c1-12-17(25-18(20-12)13-7-3-2-4-8-13)15(22)11-24-19-21-14-9-5-6-10-16(14)23-19/h2-10H,11H2,1H3.
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone?
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone has a molecular weight of 366.47 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 1477677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).