3-[2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one

C17H12N2O3S3 — CID 10309500

IUPAC3-[2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1csc(CS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C17H12N2O3S3/c20-17-12(8-11-4-1-2-5-13(11)19-17)14-9-24-15(18-14)10-25(21,22)16-6-3-7-23-16/h1-9H,10H2,(H,19,20)
InChIKeyMCZGHPQYRSSJLZ-UHFFFAOYSA-N
MW388.50 g/mol
LogP3.69
Rot. Bonds4

About 3-[2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one

3-[2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one (PubChem CID 10309500) has the molecular formula C17H12N2O3S3 and a molecular weight of 388.50 g/mol. Its IUPAC name is 3-[2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
PubChem CID10309500
Molecular FormulaC17H12N2O3S3
Molecular Weight388.50 g/mol
Exact Mass388.00
IUPAC Name3-[2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1csc(CS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C17H12N2O3S3/c20-17-12(8-11-4-1-2-5-13(11)19-17)14-9-24-15(18-14)10-25(21,22)16-6-3-7-23-16/h1-9H,10H2,(H,19,20)
InChIKeyMCZGHPQYRSSJLZ-UHFFFAOYSA-N
XLogP3.69
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(4-Amino-phenyl)-thiazol-4-yl]-1H-quinolin-2-one
CID 10149743
3-[2-(Methanesulfonylmethyl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10149755
3-{2-[(Pyridine-2-sulfonyl)methyl]-1,3-thiazol-4-yl}-1,2-dihydroquinolin-2-one
CID 10215918
3-[2-(Thiophen-3-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10286404
3-{2-[(Benzenesulfonyl)methyl]-1,3-thiazol-4-yl}-1,2-dihydroquinolin-2-one
CID 10287269
quinolin-2(1H)-one derivative, 17m
CID 10287815
3-{2-[(Benzenesulfinyl)methyl]-1,3-thiazol-4-yl}-1,2-dihydroquinolin-2-one
CID 10309171
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide
CID 3574419
3-(2-Phenyl-1,3-thiazol-4-yl)-1,2-dihydroquinolin-2-one
CID 22638512
quinolin-2(1H)-one derivative, 17o
CID 22638559
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide
CID 732488
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-thiophenecarboxamide
CID 737898

Frequently Asked Questions

What is the IUPAC name of 3-[2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one (CID 10309500) is 3-[2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1-c1csc(CS(=O)(=O)c2cccs2)n1.
What is the InChIKey of 3-[2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The InChIKey is MCZGHPQYRSSJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3S3/c20-17-12(8-11-4-1-2-5-13(11)19-17)14-9-24-15(18-14)10-25(21,22)16-6-3-7-23-16/h1-9H,10H2,(H,19,20).
What are the key properties of 3-[2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
3-[2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one has a molecular weight of 388.50 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one is sourced from PubChem (CID 10309500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).