2-cyano-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide

C16H20N4O2S2 — CID 110359602

IUPAC2-cyano-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
SMILESCCN(CC)Cc1csc(CNS(=O)(=O)c2ccccc2C#N)n1
InChIInChI=1S/C16H20N4O2S2/c1-3-20(4-2)11-14-12-23-16(19-14)10-18-24(21,22)15-8-6-5-7-13(15)9-17/h5-8,12,18H,3-4,10-11H2,1-2H3
InChIKeySZKGVFCQLJFRIH-UHFFFAOYSA-N
MW364.50 g/mol
LogP2.34
Rot. Bonds8

About 2-cyano-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide

2-cyano-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide (PubChem CID 110359602) has the molecular formula C16H20N4O2S2 and a molecular weight of 364.50 g/mol. Its IUPAC name is 2-cyano-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
PubChem CID110359602
Molecular FormulaC16H20N4O2S2
Molecular Weight364.50 g/mol
Exact Mass364.10
IUPAC Name2-cyano-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
SMILESCCN(CC)Cc1csc(CNS(=O)(=O)c2ccccc2C#N)n1
InChIInChI=1S/C16H20N4O2S2/c1-3-20(4-2)11-14-12-23-16(19-14)10-18-24(21,22)15-8-6-5-7-13(15)9-17/h5-8,12,18H,3-4,10-11H2,1-2H3
InChIKeySZKGVFCQLJFRIH-UHFFFAOYSA-N
XLogP2.34
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4,6-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 23603417
4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 23603418
4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1-sulfonamide
CID 23603420
1-[(4-Methylphenyl)sulfonyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine
CID 1272766
2,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 3241045
2-(methylsulfonylmethyl)-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole
CID 71989137
N-((2-methylthiazol-4-yl)methyl)-[1,1'-biphenyl]-4-sulfonamide
CID 7119033
1-(3-methylphenyl)-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide
CID 164642241
N-((2-(t-butyl)thiazol-4-yl)methyl)benzenesulfonamide
CID 166611174
4-[[4-(4-Fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 30668298
2-Ethyl-4-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 31418930
2-Ethyl-4-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 31419025

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide (CID 110359602) is 2-cyano-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide is CCN(CC)Cc1csc(CNS(=O)(=O)c2ccccc2C#N)n1.
What is the InChIKey of 2-cyano-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide?
The InChIKey is SZKGVFCQLJFRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S2/c1-3-20(4-2)11-14-12-23-16(19-14)10-18-24(21,22)15-8-6-5-7-13(15)9-17/h5-8,12,18H,3-4,10-11H2,1-2H3.
What are the key properties of 2-cyano-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide?
2-cyano-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide has a molecular weight of 364.50 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 110359602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).