3-(4-methyl-1,3-thiazol-2-yl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

C16H12N4O2S4 — CID 167858511

IUPAC3-(4-methyl-1,3-thiazol-2-yl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1csc(-c2cccc(S(=O)(=O)Nc3nnc(-c4ccsc4)s3)c2)n1
InChIInChI=1S/C16H12N4O2S4/c1-10-8-24-14(17-10)11-3-2-4-13(7-11)26(21,22)20-16-19-18-15(25-16)12-5-6-23-9-12/h2-9H,1H3,(H,19,20)
InChIKeyQWMSMKSAZXJYKH-UHFFFAOYSA-N
MW420.57 g/mol
LogP4.50
Rot. Bonds5

About 3-(4-methyl-1,3-thiazol-2-yl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

3-(4-methyl-1,3-thiazol-2-yl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 167858511) has the molecular formula C16H12N4O2S4 and a molecular weight of 420.57 g/mol. Its IUPAC name is 3-(4-methyl-1,3-thiazol-2-yl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(4-methyl-1,3-thiazol-2-yl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID167858511
Molecular FormulaC16H12N4O2S4
Molecular Weight420.57 g/mol
Exact Mass419.98
IUPAC Name3-(4-methyl-1,3-thiazol-2-yl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1csc(-c2cccc(S(=O)(=O)Nc3nnc(-c4ccsc4)s3)c2)n1
InChIInChI=1S/C16H12N4O2S4/c1-10-8-24-14(17-10)11-3-2-4-13(7-11)26(21,22)20-16-19-18-15(25-16)12-5-6-23-9-12/h2-9H,1H3,(H,19,20)
InChIKeyQWMSMKSAZXJYKH-UHFFFAOYSA-N
XLogP4.50
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.57
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-thiazol-2-yl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-(4-methyl-1,3-thiazol-2-yl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 167858511) is 3-(4-methyl-1,3-thiazol-2-yl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-(4-methyl-1,3-thiazol-2-yl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-(4-methyl-1,3-thiazol-2-yl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is Cc1csc(-c2cccc(S(=O)(=O)Nc3nnc(-c4ccsc4)s3)c2)n1.
What is the InChIKey of 3-(4-methyl-1,3-thiazol-2-yl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is QWMSMKSAZXJYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S4/c1-10-8-24-14(17-10)11-3-2-4-13(7-11)26(21,22)20-16-19-18-15(25-16)12-5-6-23-9-12/h2-9H,1H3,(H,19,20).
What are the key properties of 3-(4-methyl-1,3-thiazol-2-yl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
3-(4-methyl-1,3-thiazol-2-yl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 420.57 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-thiazol-2-yl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 167858511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).