3-(dimethylamino)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylbenzenesulfonamide

C15H21N3O2S2 — CID 71851160

IUPAC3-(dimethylamino)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nc(C)c(C)s2)cc1N(C)C
InChIInChI=1S/C15H21N3O2S2/c1-10-6-7-13(8-14(10)18(4)5)22(19,20)16-9-15-17-11(2)12(3)21-15/h6-8,16H,9H2,1-5H3
InChIKeyMEXNXGXPHDPWAJ-UHFFFAOYSA-N
MW339.49 g/mol
LogP2.61
Rot. Bonds5

About 3-(dimethylamino)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylbenzenesulfonamide

3-(dimethylamino)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylbenzenesulfonamide (PubChem CID 71851160) has the molecular formula C15H21N3O2S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylbenzenesulfonamide
PubChem CID71851160
Molecular FormulaC15H21N3O2S2
Molecular Weight339.49 g/mol
Exact Mass339.11
IUPAC Name3-(dimethylamino)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nc(C)c(C)s2)cc1N(C)C
InChIInChI=1S/C15H21N3O2S2/c1-10-6-7-13(8-14(10)18(4)5)22(19,20)16-9-15-17-11(2)12(3)21-15/h6-8,16H,9H2,1-5H3
InChIKeyMEXNXGXPHDPWAJ-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-(dimethylamino)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylbenzenesulfonamide (CID 71851160) is 3-(dimethylamino)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-(dimethylamino)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2nc(C)c(C)s2)cc1N(C)C.
What is the InChIKey of 3-(dimethylamino)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is MEXNXGXPHDPWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S2/c1-10-6-7-13(8-14(10)18(4)5)22(19,20)16-9-15-17-11(2)12(3)21-15/h6-8,16H,9H2,1-5H3.
What are the key properties of 3-(dimethylamino)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylbenzenesulfonamide?
3-(dimethylamino)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 339.49 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 71851160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).