4-(1,3-dithiolan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide

C14H14N2OS3 — CID 26197752

IUPAC4-(1,3-dithiolan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cnc(NC(=O)c2ccc(C3SCCS3)cc2)s1
InChIInChI=1S/C14H14N2OS3/c1-9-8-15-14(20-9)16-12(17)10-2-4-11(5-3-10)13-18-6-7-19-13/h2-5,8,13H,6-7H2,1H3,(H,15,16,17)
InChIKeyKQEDKDXIRHKZHU-UHFFFAOYSA-N
MW322.48 g/mol
LogP4.18
Rot. Bonds3

About 4-(1,3-dithiolan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide

4-(1,3-dithiolan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 26197752) has the molecular formula C14H14N2OS3 and a molecular weight of 322.48 g/mol. Its IUPAC name is 4-(1,3-dithiolan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(1,3-dithiolan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID26197752
Molecular FormulaC14H14N2OS3
Molecular Weight322.48 g/mol
Exact Mass322.03
IUPAC Name4-(1,3-dithiolan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cnc(NC(=O)c2ccc(C3SCCS3)cc2)s1
InChIInChI=1S/C14H14N2OS3/c1-9-8-15-14(20-9)16-12(17)10-2-4-11(5-3-10)13-18-6-7-19-13/h2-5,8,13H,6-7H2,1H3,(H,15,16,17)
InChIKeyKQEDKDXIRHKZHU-UHFFFAOYSA-N
XLogP4.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dithiolan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(1,3-dithiolan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide (CID 26197752) is 4-(1,3-dithiolan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(1,3-dithiolan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(1,3-dithiolan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide is Cc1cnc(NC(=O)c2ccc(C3SCCS3)cc2)s1.
What is the InChIKey of 4-(1,3-dithiolan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is KQEDKDXIRHKZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS3/c1-9-8-15-14(20-9)16-12(17)10-2-4-11(5-3-10)13-18-6-7-19-13/h2-5,8,13H,6-7H2,1H3,(H,15,16,17).
What are the key properties of 4-(1,3-dithiolan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
4-(1,3-dithiolan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 322.48 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dithiolan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 26197752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).