2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide

C24H17N3O2S2 — CID 2336959

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C24H17N3O2S2/c28-20(15-30-24-25-18-13-7-8-14-19(18)29-24)26-23-27-21(16-9-3-1-4-10-16)22(31-23)17-11-5-2-6-12-17/h1-14H,15H2,(H,26,27,28)
InChIKeyLBCDJCXWIBAHCJ-UHFFFAOYSA-N
MW443.55 g/mol
LogP6.35
Rot. Bonds6

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 2336959) has the molecular formula C24H17N3O2S2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide
PubChem CID2336959
Molecular FormulaC24H17N3O2S2
Molecular Weight443.55 g/mol
Exact Mass443.08
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C24H17N3O2S2/c28-20(15-30-24-25-18-13-7-8-14-19(18)29-24)26-23-27-21(16-9-3-1-4-10-16)22(31-23)17-11-5-2-6-12-17/h1-14H,15H2,(H,26,27,28)
InChIKeyLBCDJCXWIBAHCJ-UHFFFAOYSA-N
XLogP6.35
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 86979352
N-(1,3-benzothiazol-2-yl)-2-[2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 2158872
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 1261878
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]acetamide
CID 46855155
N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 2481015
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 23932146
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chlorophenyl)acetamide
CID 708751
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 4792243
methyl 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate
CID 19727859
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-4-phenylbenzohydrazide
CID 9471511
2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyridin-3-ylacetamide
CID 12706412
N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide
CID 4099246

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide (CID 2336959) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide is O=C(CSc1nc2ccccc2o1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is LBCDJCXWIBAHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O2S2/c28-20(15-30-24-25-18-13-7-8-14-19(18)29-24)26-23-27-21(16-9-3-1-4-10-16)22(31-23)17-11-5-2-6-12-17/h1-14H,15H2,(H,26,27,28).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 443.55 g/mol, XLogP of 6.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2336959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).