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

C12H9N3O2S2 — CID 684828

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1nccs1
InChIInChI=1S/C12H9N3O2S2/c16-10(15-11-13-5-6-18-11)7-19-12-14-8-3-1-2-4-9(8)17-12/h1-6H,7H2,(H,13,15,16)
InChIKeyKFLYDNYLTJKOFD-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.02
Rot. Bonds4

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

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 684828) has the molecular formula C12H9N3O2S2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID684828
Molecular FormulaC12H9N3O2S2
Molecular Weight291.36 g/mol
Exact Mass291.01
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1nccs1
InChIInChI=1S/C12H9N3O2S2/c16-10(15-11-13-5-6-18-11)7-19-12-14-8-3-1-2-4-9(8)17-12/h1-6H,7H2,(H,13,15,16)
InChIKeyKFLYDNYLTJKOFD-UHFFFAOYSA-N
XLogP3.02
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.02
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-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide (CID 684828) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1nc2ccccc2o1)Nc1nccs1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is KFLYDNYLTJKOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S2/c16-10(15-11-13-5-6-18-11)7-19-12-14-8-3-1-2-4-9(8)17-12/h1-6H,7H2,(H,13,15,16).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 291.36 g/mol, XLogP of 3.02, 4 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-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 684828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).