2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C16H15N3O2S2 — CID 2999907

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C16H15N3O2S2/c20-14(19-15-17-11-6-2-4-8-13(11)23-15)9-22-16-18-10-5-1-3-7-12(10)21-16/h1,3,5,7H,2,4,6,8-9H2,(H,17,19,20)
InChIKeyUAIHFEJUGDIRJE-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.89
Rot. Bonds4

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 2999907) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID2999907
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C16H15N3O2S2/c20-14(19-15-17-11-6-2-4-8-13(11)23-15)9-22-16-18-10-5-1-3-7-12(10)21-16/h1,3,5,7H,2,4,6,8-9H2,(H,17,19,20)
InChIKeyUAIHFEJUGDIRJE-UHFFFAOYSA-N
XLogP3.89
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 2999907) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is O=C(CSc1nc2ccccc2o1)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is UAIHFEJUGDIRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c20-14(19-15-17-11-6-2-4-8-13(11)23-15)9-22-16-18-10-5-1-3-7-12(10)21-16/h1,3,5,7H,2,4,6,8-9H2,(H,17,19,20).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 345.45 g/mol, XLogP of 3.89, 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-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 2999907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).