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

C15H16N2OS3 — CID 86998665

IUPAC4-(1,3-dithiolan-2-yl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(N(C)C(=O)c2ccc(C3SCCS3)cc2)n1
InChIInChI=1S/C15H16N2OS3/c1-10-9-21-15(16-10)17(2)13(18)11-3-5-12(6-4-11)14-19-7-8-20-14/h3-6,9,14H,7-8H2,1-2H3
InChIKeyYLAWWLLDEMGOQN-UHFFFAOYSA-N
MW336.51 g/mol
LogP4.21
Rot. Bonds3

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

4-(1,3-dithiolan-2-yl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 86998665) has the molecular formula C15H16N2OS3 and a molecular weight of 336.51 g/mol. Its IUPAC name is 4-(1,3-dithiolan-2-yl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(1,3-dithiolan-2-yl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID86998665
Molecular FormulaC15H16N2OS3
Molecular Weight336.51 g/mol
Exact Mass336.04
IUPAC Name4-(1,3-dithiolan-2-yl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(N(C)C(=O)c2ccc(C3SCCS3)cc2)n1
InChIInChI=1S/C15H16N2OS3/c1-10-9-21-15(16-10)17(2)13(18)11-3-5-12(6-4-11)14-19-7-8-20-14/h3-6,9,14H,7-8H2,1-2H3
InChIKeyYLAWWLLDEMGOQN-UHFFFAOYSA-N
XLogP4.21
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.51
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dithiolan-2-yl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(1,3-dithiolan-2-yl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 86998665) is 4-(1,3-dithiolan-2-yl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(1,3-dithiolan-2-yl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(1,3-dithiolan-2-yl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(N(C)C(=O)c2ccc(C3SCCS3)cc2)n1.
What is the InChIKey of 4-(1,3-dithiolan-2-yl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is YLAWWLLDEMGOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS3/c1-10-9-21-15(16-10)17(2)13(18)11-3-5-12(6-4-11)14-19-7-8-20-14/h3-6,9,14H,7-8H2,1-2H3.
What are the key properties of 4-(1,3-dithiolan-2-yl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
4-(1,3-dithiolan-2-yl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 336.51 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dithiolan-2-yl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 86998665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).