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

C15H14N2O2S2 — CID 17447988

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

6-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 17447988) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 6-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 6-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one
• PubChem CID: 17447988
• Molecular Formula: C15H14N2O2S2
• Molecular Weight: 318.42 g/mol
• Exact Mass: 318.05
• IUPAC Name: 6-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one
• SMILES: Cc1csc(SCC(=O)c2ccc3c(c2)CCC(=O)N3)n1
• InChI: InChI=1S/C15H14N2O2S2/c1-9-7-20-15(16-9)21-8-13(18)11-2-4-12-10(6-11)3-5-14(19)17-12/h2,4,6-7H,3,5,8H2,1H3,(H,17,19)
• InChIKey: JNEDSDCMJXBAKN-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 59.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.42
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one?

The IUPAC name of 6-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one (CID 17447988) is 6-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one.

What is the SMILES notation for 6-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one?

The canonical SMILES for 6-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one is Cc1csc(SCC(=O)c2ccc3c(c2)CCC(=O)N3)n1.

What is the InChIKey of 6-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one?

The InChIKey is JNEDSDCMJXBAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c1-9-7-20-15(16-9)21-8-13(18)11-2-4-12-10(6-11)3-5-14(19)17-12/h2,4,6-7H,3,5,8H2,1H3,(H,17,19).

What are the key properties of 6-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one?

6-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 318.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 17447988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).