N,N,3,4-tetramethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide

C15H21N3O2S2 — CID 71998043

IUPACN,N,3,4-tetramethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide
SMILESCc1ncc(CNc2cc(S(=O)(=O)N(C)C)cc(C)c2C)s1
InChIInChI=1S/C15H21N3O2S2/c1-10-6-14(22(19,20)18(4)5)7-15(11(10)2)17-9-13-8-16-12(3)21-13/h6-8,17H,9H2,1-5H3
InChIKeyTVNXYCAXCGSZLT-UHFFFAOYSA-N
MW339.49 g/mol
LogP2.93
Rot. Bonds5

About N,N,3,4-tetramethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide

N,N,3,4-tetramethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide (PubChem CID 71998043) has the molecular formula C15H21N3O2S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is N,N,3,4-tetramethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN,N,3,4-tetramethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide
PubChem CID71998043
Molecular FormulaC15H21N3O2S2
Molecular Weight339.49 g/mol
Exact Mass339.11
IUPAC NameN,N,3,4-tetramethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide
SMILESCc1ncc(CNc2cc(S(=O)(=O)N(C)C)cc(C)c2C)s1
InChIInChI=1S/C15H21N3O2S2/c1-10-6-14(22(19,20)18(4)5)7-15(11(10)2)17-9-13-8-16-12(3)21-13/h6-8,17H,9H2,1-5H3
InChIKeyTVNXYCAXCGSZLT-UHFFFAOYSA-N
XLogP2.93
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(dimethylsulfamoyl)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86842053
3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N,N-dimethyl-4-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 168581948
3-[(5-cyano-2-fluorophenyl)methylamino]-N,N,4,5-tetramethylbenzenesulfonamide
CID 78838834
N-cyclopropyl-N-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide
CID 71997918
5-fluoro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941542
5-chloro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941064
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 168579937
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3,5-dimethylbenzamide
CID 27832740
N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanesulfonamide
CID 61384794
1,1-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine
CID 83003423
4-fluoro-5-methyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,2-diamine
CID 103590044
3-bromo-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 103697075

Frequently Asked Questions

What is the IUPAC name of N,N,3,4-tetramethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide?
The IUPAC name of N,N,3,4-tetramethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide (CID 71998043) is N,N,3,4-tetramethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for N,N,3,4-tetramethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide?
The canonical SMILES for N,N,3,4-tetramethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide is Cc1ncc(CNc2cc(S(=O)(=O)N(C)C)cc(C)c2C)s1.
What is the InChIKey of N,N,3,4-tetramethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide?
The InChIKey is TVNXYCAXCGSZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S2/c1-10-6-14(22(19,20)18(4)5)7-15(11(10)2)17-9-13-8-16-12(3)21-13/h6-8,17H,9H2,1-5H3.
What are the key properties of N,N,3,4-tetramethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide?
N,N,3,4-tetramethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide has a molecular weight of 339.49 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,4-tetramethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 71998043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).