N-methyl-4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide

C14H19N3O2S2 — CID 62145861

IUPACN-methyl-4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N(C)Cc2cscn2)cc1
InChIInChI=1S/C14H19N3O2S2/c1-3-8-15-12-4-6-14(7-5-12)21(18,19)17(2)9-13-10-20-11-16-13/h4-7,10-11,15H,3,8-9H2,1-2H3
InChIKeyREXARJPOYBEQCW-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.79
Rot. Bonds7

About N-methyl-4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide

N-methyl-4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide (PubChem CID 62145861) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-methyl-4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
PubChem CID62145861
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC NameN-methyl-4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N(C)Cc2cscn2)cc1
InChIInChI=1S/C14H19N3O2S2/c1-3-8-15-12-4-6-14(7-5-12)21(18,19)17(2)9-13-10-20-11-16-13/h4-7,10-11,15H,3,8-9H2,1-2H3
InChIKeyREXARJPOYBEQCW-UHFFFAOYSA-N
XLogP2.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-sulfonamide
CID 62147992
N-methyl-2-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-4-sulfonamide
CID 62148150
4-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 55012270
4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 63824191
3-(ethylamino)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-2-sulfonamide
CID 103305035
4-chloro-2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 47076190
N'-methyl-N-phenyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 55087775
3-(aminomethyl)-4-chloro-5-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 81451042
3-amino-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-sulfonamide
CID 55013803
methyl 4-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-2-carboxylate
CID 102748594
N-methyl-2-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 62179926
N'-methyl-N-(2-methylbutan-2-yl)-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 62553676

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The IUPAC name of N-methyl-4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide (CID 62145861) is N-methyl-4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-methyl-4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide is CCCNc1ccc(S(=O)(=O)N(C)Cc2cscn2)cc1.
What is the InChIKey of N-methyl-4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The InChIKey is REXARJPOYBEQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-3-8-15-12-4-6-14(7-5-12)21(18,19)17(2)9-13-10-20-11-16-13/h4-7,10-11,15H,3,8-9H2,1-2H3.
What are the key properties of N-methyl-4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
N-methyl-4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 62145861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).