N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide

C12H10N2O2S4 — CID 2738769

IUPACN-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1csc(-c2cccs2)n1)c1cccs1
InChIInChI=1S/C12H10N2O2S4/c15-20(16,11-4-2-6-18-11)13-7-9-8-19-12(14-9)10-3-1-5-17-10/h1-6,8,13H,7H2
InChIKeyCINZDFDARPQYHS-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.41
Rot. Bonds5

About N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide

N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 2738769) has the molecular formula C12H10N2O2S4 and a molecular weight of 342.49 g/mol. Its IUPAC name is N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID2738769
Molecular FormulaC12H10N2O2S4
Molecular Weight342.49 g/mol
Exact Mass341.96
IUPAC NameN-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1csc(-c2cccs2)n1)c1cccs1
InChIInChI=1S/C12H10N2O2S4/c15-20(16,11-4-2-6-18-11)13-7-9-8-19-12(14-9)10-3-1-5-17-10/h1-6,8,13H,7H2
InChIKeyCINZDFDARPQYHS-UHFFFAOYSA-N
XLogP3.41
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide (CID 2738769) is N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1csc(-c2cccs2)n1)c1cccs1.
What is the InChIKey of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is CINZDFDARPQYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S4/c15-20(16,11-4-2-6-18-11)13-7-9-8-19-12(14-9)10-3-1-5-17-10/h1-6,8,13H,7H2.
What are the key properties of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 342.49 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2738769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).