5-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide

C14H13N3O2S3 — CID 2795737

IUPAC5-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)NCc3cccnc3)s2)cs1
InChIInChI=1S/C14H13N3O2S3/c1-10-17-12(9-20-10)13-4-5-14(21-13)22(18,19)16-8-11-3-2-6-15-7-11/h2-7,9,16H,8H2,1H3
InChIKeyWAYUUERFFZCDEQ-UHFFFAOYSA-N
MW351.48 g/mol
LogP3.05
Rot. Bonds5

About 5-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide

5-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide (PubChem CID 2795737) has the molecular formula C14H13N3O2S3 and a molecular weight of 351.48 g/mol. Its IUPAC name is 5-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
PubChem CID2795737
Molecular FormulaC14H13N3O2S3
Molecular Weight351.48 g/mol
Exact Mass351.02
IUPAC Name5-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)NCc3cccnc3)s2)cs1
InChIInChI=1S/C14H13N3O2S3/c1-10-17-12(9-20-10)13-4-5-14(21-13)22(18,19)16-8-11-3-2-6-15-7-11/h2-7,9,16H,8H2,1H3
InChIKeyWAYUUERFFZCDEQ-UHFFFAOYSA-N
XLogP3.05
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide (CID 2795737) is 5-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide is Cc1nc(-c2ccc(S(=O)(=O)NCc3cccnc3)s2)cs1.
What is the InChIKey of 5-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is WAYUUERFFZCDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S3/c1-10-17-12(9-20-10)13-4-5-14(21-13)22(18,19)16-8-11-3-2-6-15-7-11/h2-7,9,16H,8H2,1H3.
What are the key properties of 5-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
5-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 351.48 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 2795737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).