5-[7-(dimethylsulfamoylamino)-4-methylquinolin-2-yl]-1,3-thiazole

C15H16N4O2S2 — CID 169414282

IUPAC5-[7-(dimethylsulfamoylamino)-4-methylquinolin-2-yl]-1,3-thiazole
SMILESCc1cc(-c2cncs2)nc2cc(NS(=O)(=O)N(C)C)ccc12
InChIInChI=1S/C15H16N4O2S2/c1-10-6-14(15-8-16-9-22-15)17-13-7-11(4-5-12(10)13)18-23(20,21)19(2)3/h4-9,18H,1-3H3
InChIKeyRJNUTUYSPGWUEU-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.89
Rot. Bonds4

About 5-[7-(dimethylsulfamoylamino)-4-methylquinolin-2-yl]-1,3-thiazole

5-[7-(dimethylsulfamoylamino)-4-methylquinolin-2-yl]-1,3-thiazole (PubChem CID 169414282) has the molecular formula C15H16N4O2S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-[7-(dimethylsulfamoylamino)-4-methylquinolin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[7-(dimethylsulfamoylamino)-4-methylquinolin-2-yl]-1,3-thiazole
PubChem CID169414282
Molecular FormulaC15H16N4O2S2
Molecular Weight348.45 g/mol
Exact Mass348.07
IUPAC Name5-[7-(dimethylsulfamoylamino)-4-methylquinolin-2-yl]-1,3-thiazole
SMILESCc1cc(-c2cncs2)nc2cc(NS(=O)(=O)N(C)C)ccc12
InChIInChI=1S/C15H16N4O2S2/c1-10-6-14(15-8-16-9-22-15)17-13-7-11(4-5-12(10)13)18-23(20,21)19(2)3/h4-9,18H,1-3H3
InChIKeyRJNUTUYSPGWUEU-UHFFFAOYSA-N
XLogP2.89
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[7-(dimethylsulfamoylamino)-4-methylquinolin-2-yl]-1,3-thiazole?
The IUPAC name of 5-[7-(dimethylsulfamoylamino)-4-methylquinolin-2-yl]-1,3-thiazole (CID 169414282) is 5-[7-(dimethylsulfamoylamino)-4-methylquinolin-2-yl]-1,3-thiazole.
What is the SMILES notation for 5-[7-(dimethylsulfamoylamino)-4-methylquinolin-2-yl]-1,3-thiazole?
The canonical SMILES for 5-[7-(dimethylsulfamoylamino)-4-methylquinolin-2-yl]-1,3-thiazole is Cc1cc(-c2cncs2)nc2cc(NS(=O)(=O)N(C)C)ccc12.
What is the InChIKey of 5-[7-(dimethylsulfamoylamino)-4-methylquinolin-2-yl]-1,3-thiazole?
The InChIKey is RJNUTUYSPGWUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S2/c1-10-6-14(15-8-16-9-22-15)17-13-7-11(4-5-12(10)13)18-23(20,21)19(2)3/h4-9,18H,1-3H3.
What are the key properties of 5-[7-(dimethylsulfamoylamino)-4-methylquinolin-2-yl]-1,3-thiazole?
5-[7-(dimethylsulfamoylamino)-4-methylquinolin-2-yl]-1,3-thiazole has a molecular weight of 348.45 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(dimethylsulfamoylamino)-4-methylquinolin-2-yl]-1,3-thiazole is sourced from PubChem (CID 169414282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).