4-methyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one

C14H16N2O3S2 — CID 60724712

IUPAC4-methyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one
SMILESCc1ccc2c(c1)CCCN2S(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C14H16N2O3S2/c1-9-5-6-12-11(8-9)4-3-7-16(12)21(18,19)13-10(2)15-14(17)20-13/h5-6,8H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyUOWDVYVQYRYUFG-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.19
Rot. Bonds2

About 4-methyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one

4-methyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one (PubChem CID 60724712) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-methyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one
PubChem CID60724712
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name4-methyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one
SMILESCc1ccc2c(c1)CCCN2S(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C14H16N2O3S2/c1-9-5-6-12-11(8-9)4-3-7-16(12)21(18,19)13-10(2)15-14(17)20-13/h5-6,8H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyUOWDVYVQYRYUFG-UHFFFAOYSA-N
XLogP2.19
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one (CID 60724712) is 4-methyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one is Cc1ccc2c(c1)CCCN2S(=O)(=O)c1sc(=O)[nH]c1C.
What is the InChIKey of 4-methyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one?
The InChIKey is UOWDVYVQYRYUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-9-5-6-12-11(8-9)4-3-7-16(12)21(18,19)13-10(2)15-14(17)20-13/h5-6,8H,3-4,7H2,1-2H3,(H,15,17).
What are the key properties of 4-methyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one?
4-methyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one has a molecular weight of 324.43 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 60724712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).