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

C18H13N3O2S2 — CID 2059463

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H13N3O2S2/c22-16(11-25-18-20-13-8-4-5-9-15(13)23-18)21-17-19-14(10-24-17)12-6-2-1-3-7-12/h1-10H,11H2,(H,19,21,22)
InChIKeyKEJYCNAYHHATKZ-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.68
Rot. Bonds5

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

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 2059463) has the molecular formula C18H13N3O2S2 and a molecular weight of 367.46 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID2059463
Molecular FormulaC18H13N3O2S2
Molecular Weight367.46 g/mol
Exact Mass367.04
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H13N3O2S2/c22-16(11-25-18-20-13-8-4-5-9-15(13)23-18)21-17-19-14(10-24-17)12-6-2-1-3-7-12/h1-10H,11H2,(H,19,21,22)
InChIKeyKEJYCNAYHHATKZ-UHFFFAOYSA-N
XLogP4.68
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 2059463) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is O=C(CSc1nc2ccccc2o1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is KEJYCNAYHHATKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S2/c22-16(11-25-18-20-13-8-4-5-9-15(13)23-18)21-17-19-14(10-24-17)12-6-2-1-3-7-12/h1-10H,11H2,(H,19,21,22).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 367.46 g/mol, XLogP of 4.68, 5 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-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2059463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).