N-(2-cyanoethyl)-2-methyl-N-phenyl-1,3-thiazole-5-sulfonamide

C13H13N3O2S2 — CID 103847451

IUPACN-(2-cyanoethyl)-2-methyl-N-phenyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)N(CCC#N)c2ccccc2)s1
InChIInChI=1S/C13H13N3O2S2/c1-11-15-10-13(19-11)20(17,18)16(9-5-8-14)12-6-3-2-4-7-12/h2-4,6-7,10H,5,9H2,1H3
InChIKeyXNCHZNVZVJLNAH-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.56
Rot. Bonds5

About N-(2-cyanoethyl)-2-methyl-N-phenyl-1,3-thiazole-5-sulfonamide

N-(2-cyanoethyl)-2-methyl-N-phenyl-1,3-thiazole-5-sulfonamide (PubChem CID 103847451) has the molecular formula C13H13N3O2S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-methyl-N-phenyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-methyl-N-phenyl-1,3-thiazole-5-sulfonamide
PubChem CID103847451
Molecular FormulaC13H13N3O2S2
Molecular Weight307.40 g/mol
Exact Mass307.04
IUPAC NameN-(2-cyanoethyl)-2-methyl-N-phenyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)N(CCC#N)c2ccccc2)s1
InChIInChI=1S/C13H13N3O2S2/c1-11-15-10-13(19-11)20(17,18)16(9-5-8-14)12-6-3-2-4-7-12/h2-4,6-7,10H,5,9H2,1H3
InChIKeyXNCHZNVZVJLNAH-UHFFFAOYSA-N
XLogP2.56
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(2-cyanoethyl)-N-phenyl-1,3-thiazole-5-sulfonamide
CID 43455903
2-[N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]anilino]acetic acid
CID 104936964
N-benzyl-2-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide
CID 75388898
N-(2-cyanoethyl)-5-methyl-N-phenyl-1H-pyrazole-4-sulfonamide
CID 60910953
N-(4-aminophenyl)-2-methyl-N-propyl-1,3-thiazole-5-sulfonamide
CID 103413967
N-(3-hydroxyphenyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide
CID 75388800
N-(2-cyanoethyl)-4-iodo-N-phenylbenzenesulfonamide
CID 3721933
N-(2-cyanoethyl)-N-phenyl-2-propan-2-yloxyethanesulfonamide
CID 79593944
3,5-dichloro-N-(2-cyanoethyl)-2-hydroxy-N-phenylbenzenesulfonamide
CID 4987406
N-(2-cyanoethyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethanesulfonamide
CID 30056480
N-[2-(cyanomethoxy)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414535
2-chloro-N-(2-cyanoethyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide
CID 61052655

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-methyl-N-phenyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-2-methyl-N-phenyl-1,3-thiazole-5-sulfonamide (CID 103847451) is N-(2-cyanoethyl)-2-methyl-N-phenyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-methyl-N-phenyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-2-methyl-N-phenyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)N(CCC#N)c2ccccc2)s1.
What is the InChIKey of N-(2-cyanoethyl)-2-methyl-N-phenyl-1,3-thiazole-5-sulfonamide?
The InChIKey is XNCHZNVZVJLNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S2/c1-11-15-10-13(19-11)20(17,18)16(9-5-8-14)12-6-3-2-4-7-12/h2-4,6-7,10H,5,9H2,1H3.
What are the key properties of N-(2-cyanoethyl)-2-methyl-N-phenyl-1,3-thiazole-5-sulfonamide?
N-(2-cyanoethyl)-2-methyl-N-phenyl-1,3-thiazole-5-sulfonamide has a molecular weight of 307.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-methyl-N-phenyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103847451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).