N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzenesulfonamide

C13H17N3O2S2 — CID 61044463

IUPACN,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzenesulfonamide
SMILESCc1csc(CNc2ccccc2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C13H17N3O2S2/c1-10-9-19-13(15-10)8-14-11-6-4-5-7-12(11)20(17,18)16(2)3/h4-7,9,14H,8H2,1-3H3
InChIKeyCOCGIGOTEUWQKL-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.31
Rot. Bonds5

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

N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzenesulfonamide (PubChem CID 61044463) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzenesulfonamide
PubChem CID61044463
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC NameN,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzenesulfonamide
SMILESCc1csc(CNc2ccccc2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C13H17N3O2S2/c1-10-9-19-13(15-10)8-14-11-6-4-5-7-12(11)20(17,18)16(2)3/h4-7,9,14H,8H2,1-3H3
InChIKeyCOCGIGOTEUWQKL-UHFFFAOYSA-N
XLogP2.31
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 115688049
3-chloro-2-N,2-N-dimethyl-1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,2-diamine
CID 115968319
N,N-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
CID 62056766
4-(dimethylsulfamoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 51315975
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 79233745
N,N-dimethyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide
CID 106896524
2-amino-N,N-dimethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 107115943
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 106048174
N-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide
CID 115743550
3-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-nitroaniline
CID 61043004
N,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 115688065
2-(3-aminobutylamino)-N,N-dimethylbenzenesulfonamide
CID 63251442

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzenesulfonamide (CID 61044463) is N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzenesulfonamide is Cc1csc(CNc2ccccc2S(=O)(=O)N(C)C)n1.
What is the InChIKey of N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzenesulfonamide?
The InChIKey is COCGIGOTEUWQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-10-9-19-13(15-10)8-14-11-6-4-5-7-12(11)20(17,18)16(2)3/h4-7,9,14H,8H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzenesulfonamide?
N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzenesulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 61044463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).