N-[2-[5-(5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraen-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

C14H13N5O2S2 — CID 71876202

IUPACN-[2-[5-(5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraen-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(-c2cc3c(nc4sccn43)s2)n1
InChIInChI=1S/C14H13N5O2S2/c1-7(20)17-14(2,3)12-15-10(21-18-12)9-6-8-11(23-9)16-13-19(8)4-5-22-13/h4-6H,1-3H3,(H,17,20)
InChIKeySCGPZOSFVMDBLL-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.03
Rot. Bonds3

About N-[2-[5-(5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraen-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

N-[2-[5-(5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraen-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (PubChem CID 71876202) has the molecular formula C14H13N5O2S2 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-[2-[5-(5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraen-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[5-(5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraen-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
PubChem CID71876202
Molecular FormulaC14H13N5O2S2
Molecular Weight347.43 g/mol
Exact Mass347.05
IUPAC NameN-[2-[5-(5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraen-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(-c2cc3c(nc4sccn43)s2)n1
InChIInChI=1S/C14H13N5O2S2/c1-7(20)17-14(2,3)12-15-10(21-18-12)9-6-8-11(23-9)16-13-19(8)4-5-22-13/h4-6H,1-3H3,(H,17,20)
InChIKeySCGPZOSFVMDBLL-UHFFFAOYSA-N
XLogP3.03
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-[5-(5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraen-4-yl)-1,2,4-oxadiazol-3-yl]propan-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 N-[2-[5-(5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraen-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[5-(5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraen-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (CID 71876202) is N-[2-[5-(5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraen-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[5-(5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraen-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[5-(5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraen-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1noc(-c2cc3c(nc4sccn43)s2)n1.
What is the InChIKey of N-[2-[5-(5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraen-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The InChIKey is SCGPZOSFVMDBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S2/c1-7(20)17-14(2,3)12-15-10(21-18-12)9-6-8-11(23-9)16-13-19(8)4-5-22-13/h4-6H,1-3H3,(H,17,20).
What are the key properties of N-[2-[5-(5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraen-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
N-[2-[5-(5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraen-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide has a molecular weight of 347.43 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraen-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is sourced from PubChem (CID 71876202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).