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

C13H11N3O2S3 — CID 5310121

IUPACN-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1csc(-c2cccnc2)n1)c1cccs1
InChIInChI=1S/C13H11N3O2S3/c17-21(18,12-4-2-6-19-12)15-8-11-9-20-13(16-11)10-3-1-5-14-7-10/h1-7,9,15H,8H2
InChIKeyFIAZGEDORHINTK-UHFFFAOYSA-N
MW337.45 g/mol
LogP2.75
Rot. Bonds5

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

N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 5310121) has the molecular formula C13H11N3O2S3 and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID5310121
Molecular FormulaC13H11N3O2S3
Molecular Weight337.45 g/mol
Exact Mass337.00
IUPAC NameN-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1csc(-c2cccnc2)n1)c1cccs1
InChIInChI=1S/C13H11N3O2S3/c17-21(18,12-4-2-6-19-12)15-8-11-9-20-13(16-11)10-3-1-5-14-7-10/h1-7,9,15H,8H2
InChIKeyFIAZGEDORHINTK-UHFFFAOYSA-N
XLogP2.75
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide (CID 5310121) is N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1csc(-c2cccnc2)n1)c1cccs1.
What is the InChIKey of N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is FIAZGEDORHINTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S3/c17-21(18,12-4-2-6-19-12)15-8-11-9-20-13(16-11)10-3-1-5-14-7-10/h1-7,9,15H,8H2.
What are the key properties of N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 337.45 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 5310121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).