4-(1,3-dithiolan-2-yl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide

C15H15N3O2S3 — CID 47776072

IUPAC4-(1,3-dithiolan-2-yl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(C2SCCS2)cc1)Nc1nccs1
InChIInChI=1S/C15H15N3O2S3/c19-12(18-15-16-5-6-23-15)9-17-13(20)10-1-3-11(4-2-10)14-21-7-8-22-14/h1-6,14H,7-9H2,(H,17,20)(H,16,18,19)
InChIKeyAUBYERCGOLWAMI-UHFFFAOYSA-N
MW365.51 g/mol
LogP2.99
Rot. Bonds5

About 4-(1,3-dithiolan-2-yl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide

4-(1,3-dithiolan-2-yl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide (PubChem CID 47776072) has the molecular formula C15H15N3O2S3 and a molecular weight of 365.51 g/mol. Its IUPAC name is 4-(1,3-dithiolan-2-yl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-(1,3-dithiolan-2-yl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
PubChem CID47776072
Molecular FormulaC15H15N3O2S3
Molecular Weight365.51 g/mol
Exact Mass365.03
IUPAC Name4-(1,3-dithiolan-2-yl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(C2SCCS2)cc1)Nc1nccs1
InChIInChI=1S/C15H15N3O2S3/c19-12(18-15-16-5-6-23-15)9-17-13(20)10-1-3-11(4-2-10)14-21-7-8-22-14/h1-6,14H,7-9H2,(H,17,20)(H,16,18,19)
InChIKeyAUBYERCGOLWAMI-UHFFFAOYSA-N
XLogP2.99
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dithiolan-2-yl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
The IUPAC name of 4-(1,3-dithiolan-2-yl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide (CID 47776072) is 4-(1,3-dithiolan-2-yl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 4-(1,3-dithiolan-2-yl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
The canonical SMILES for 4-(1,3-dithiolan-2-yl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide is O=C(CNC(=O)c1ccc(C2SCCS2)cc1)Nc1nccs1.
What is the InChIKey of 4-(1,3-dithiolan-2-yl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
The InChIKey is AUBYERCGOLWAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S3/c19-12(18-15-16-5-6-23-15)9-17-13(20)10-1-3-11(4-2-10)14-21-7-8-22-14/h1-6,14H,7-9H2,(H,17,20)(H,16,18,19).
What are the key properties of 4-(1,3-dithiolan-2-yl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
4-(1,3-dithiolan-2-yl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide has a molecular weight of 365.51 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dithiolan-2-yl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 47776072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).