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

C12H15N3O2S2 — CID 5310288

IUPACN-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1csc(-c2cccnc2)n1
InChIInChI=1S/C12H15N3O2S2/c1-2-19(16,17)14-7-5-11-9-18-12(15-11)10-4-3-6-13-8-10/h3-4,6,8-9,14H,2,5,7H2,1H3
InChIKeySWERIVHDSRGASR-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.69
Rot. Bonds6

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

N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide (PubChem CID 5310288) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
PubChem CID5310288
Molecular FormulaC12H15N3O2S2
Molecular Weight297.40 g/mol
Exact Mass297.06
IUPAC NameN-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1csc(-c2cccnc2)n1
InChIInChI=1S/C12H15N3O2S2/c1-2-19(16,17)14-7-5-11-9-18-12(15-11)10-4-3-6-13-8-10/h3-4,6,8-9,14H,2,5,7H2,1H3
InChIKeySWERIVHDSRGASR-UHFFFAOYSA-N
XLogP1.69
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide (CID 5310288) is N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCc1csc(-c2cccnc2)n1.
What is the InChIKey of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide?
The InChIKey is SWERIVHDSRGASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-2-19(16,17)14-7-5-11-9-18-12(15-11)10-4-3-6-13-8-10/h3-4,6,8-9,14H,2,5,7H2,1H3.
What are the key properties of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide?
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide has a molecular weight of 297.40 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 5310288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).