2-chloro-N-(2-cyanoethyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide

C9H12ClN3O2S2 — CID 61052655

IUPAC2-chloro-N-(2-cyanoethyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide
SMILESCC(C)N(CCC#N)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H12ClN3O2S2/c1-7(2)13(5-3-4-11)17(14,15)8-6-12-9(10)16-8/h6-7H,3,5H2,1-2H3
InChIKeyKCAGQCILYRUIDQ-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.11
Rot. Bonds5

About 2-chloro-N-(2-cyanoethyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide

2-chloro-N-(2-cyanoethyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide (PubChem CID 61052655) has the molecular formula C9H12ClN3O2S2 and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-chloro-N-(2-cyanoethyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyanoethyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide
PubChem CID61052655
Molecular FormulaC9H12ClN3O2S2
Molecular Weight293.80 g/mol
Exact Mass293.01
IUPAC Name2-chloro-N-(2-cyanoethyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide
SMILESCC(C)N(CCC#N)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H12ClN3O2S2/c1-7(2)13(5-3-4-11)17(14,15)8-6-12-9(10)16-8/h6-7H,3,5H2,1-2H3
InChIKeyKCAGQCILYRUIDQ-UHFFFAOYSA-N
XLogP2.11
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(3-hydroxypropyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide
CID 61047095
2-chloro-N-(2-cyanoethyl)-N-phenyl-1,3-thiazole-5-sulfonamide
CID 43455903
N-(2-cyanoethyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 55206830
2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 61044874
2-chloro-N,N-dipropyl-1,3-thiazole-5-sulfonamide
CID 43427518
2-chloro-N-methyl-N-pentan-3-yl-1,3-thiazole-5-sulfonamide
CID 43571195
N,N-dibutyl-2-chloro-1,3-thiazole-5-sulfonamide
CID 43455931
2-chloro-N-ethyl-N-(2-methylbutyl)-1,3-thiazole-5-sulfonamide
CID 79481379
N-(2-cyanoethyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide
CID 54944620
2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61044861
5-[2-cyanoethyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid
CID 43578645
N-(2-cyanoethyl)-2-methyl-N-phenyl-1,3-thiazole-5-sulfonamide
CID 103847451

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyanoethyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2-cyanoethyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide (CID 61052655) is 2-chloro-N-(2-cyanoethyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-cyanoethyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-cyanoethyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide is CC(C)N(CCC#N)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(2-cyanoethyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide?
The InChIKey is KCAGQCILYRUIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2S2/c1-7(2)13(5-3-4-11)17(14,15)8-6-12-9(10)16-8/h6-7H,3,5H2,1-2H3.
What are the key properties of 2-chloro-N-(2-cyanoethyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide?
2-chloro-N-(2-cyanoethyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide has a molecular weight of 293.80 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyanoethyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61052655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).