N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylquinoline-8-sulfonamide

C16H17N3O2S2 — CID 121122988

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylquinoline-8-sulfonamide
SMILESCc1ccc2cccc(S(=O)(=O)NCc3sc(C)nc3C)c2n1
InChIInChI=1S/C16H17N3O2S2/c1-10-7-8-13-5-4-6-15(16(13)18-10)23(20,21)17-9-14-11(2)19-12(3)22-14/h4-8,17H,9H2,1-3H3
InChIKeyLYOUMTWYIOPPNW-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.10
Rot. Bonds4

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylquinoline-8-sulfonamide

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylquinoline-8-sulfonamide (PubChem CID 121122988) has the molecular formula C16H17N3O2S2 and a molecular weight of 347.47 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylquinoline-8-sulfonamide
PubChem CID121122988
Molecular FormulaC16H17N3O2S2
Molecular Weight347.47 g/mol
Exact Mass347.08
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylquinoline-8-sulfonamide
SMILESCc1ccc2cccc(S(=O)(=O)NCc3sc(C)nc3C)c2n1
InChIInChI=1S/C16H17N3O2S2/c1-10-7-8-13-5-4-6-15(16(13)18-10)23(20,21)17-9-14-11(2)19-12(3)22-14/h4-8,17H,9H2,1-3H3
InChIKeyLYOUMTWYIOPPNW-UHFFFAOYSA-N
XLogP3.10
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylquinoline-8-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylquinoline-8-sulfonamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylquinoline-8-sulfonamide (CID 121122988) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylquinoline-8-sulfonamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylquinoline-8-sulfonamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylquinoline-8-sulfonamide is Cc1ccc2cccc(S(=O)(=O)NCc3sc(C)nc3C)c2n1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylquinoline-8-sulfonamide?
The InChIKey is LYOUMTWYIOPPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S2/c1-10-7-8-13-5-4-6-15(16(13)18-10)23(20,21)17-9-14-11(2)19-12(3)22-14/h4-8,17H,9H2,1-3H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylquinoline-8-sulfonamide?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylquinoline-8-sulfonamide has a molecular weight of 347.47 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylquinoline-8-sulfonamide is sourced from PubChem (CID 121122988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).