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

C14H13N3O2S3 — CID 5310371

IUPACN-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1csc(-c2cccnc2)n1)c1cccs1
InChIInChI=1S/C14H13N3O2S3/c18-22(19,13-4-2-8-20-13)16-7-5-12-10-21-14(17-12)11-3-1-6-15-9-11/h1-4,6,8-10,16H,5,7H2
InChIKeyGQSMXUUSUPQFLX-UHFFFAOYSA-N
MW351.48 g/mol
LogP2.79
Rot. Bonds6

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

N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 5310371) has the molecular formula C14H13N3O2S3 and a molecular weight of 351.48 g/mol. Its IUPAC name is N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
PubChem CID5310371
Molecular FormulaC14H13N3O2S3
Molecular Weight351.48 g/mol
Exact Mass351.02
IUPAC NameN-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1csc(-c2cccnc2)n1)c1cccs1
InChIInChI=1S/C14H13N3O2S3/c18-22(19,13-4-2-8-20-13)16-7-5-12-10-21-14(17-12)11-3-1-6-15-9-11/h1-4,6,8-10,16H,5,7H2
InChIKeyGQSMXUUSUPQFLX-UHFFFAOYSA-N
XLogP2.79
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-2-methyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 110285025
N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide
CID 7119085
N-[2-(benzenesulfonamido)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 78847266
N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 110440548
3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110624792
2-(4-methoxyphenyl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 7119160
4-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 2386160
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine
CID 50972952
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
CID 5310118
4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridin-3-yl-1,3-thiazole
CID 18913481
3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoic acid
CID 110625038
N-(4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329943

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide (CID 5310371) is N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCc1csc(-c2cccnc2)n1)c1cccs1.
What is the InChIKey of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is GQSMXUUSUPQFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S3/c18-22(19,13-4-2-8-20-13)16-7-5-12-10-21-14(17-12)11-3-1-6-15-9-11/h1-4,6,8-10,16H,5,7H2.
What are the key properties of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide?
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 351.48 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 5310371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).