3-[2-(methylamino)-1,3-thiazol-4-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C13H15N3OS — CID 82522670

IUPAC3-[2-(methylamino)-1,3-thiazol-4-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCNc1nc(-c2cc3c([nH]c2=O)CCCC3)cs1
InChIInChI=1S/C13H15N3OS/c1-14-13-16-11(7-18-13)9-6-8-4-2-3-5-10(8)15-12(9)17/h6-7H,2-5H2,1H3,(H,14,16)(H,15,17)
InChIKeySCURPAUGQFVASE-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.42
Rot. Bonds2

About 3-[2-(methylamino)-1,3-thiazol-4-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one

3-[2-(methylamino)-1,3-thiazol-4-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 82522670) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-[2-(methylamino)-1,3-thiazol-4-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-(methylamino)-1,3-thiazol-4-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID82522670
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name3-[2-(methylamino)-1,3-thiazol-4-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCNc1nc(-c2cc3c([nH]c2=O)CCCC3)cs1
InChIInChI=1S/C13H15N3OS/c1-14-13-16-11(7-18-13)9-6-8-4-2-3-5-10(8)15-12(9)17/h6-7H,2-5H2,1H3,(H,14,16)(H,15,17)
InChIKeySCURPAUGQFVASE-UHFFFAOYSA-N
XLogP2.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-(methylamino)-1,3-thiazol-4-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-tert-butyl-3-[2-(methylamino)-1,3-thiazol-4-yl]-1H-pyridin-2-one
CID 82523958
N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 167797101
3-methyl-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one
CID 146432464
N-methyl-3-[5-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 167868529
2,6-dimethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]pyridazin-3-one
CID 82442682
N-methyl-4-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine
CID 59363535
4-(2,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 17465165
N-ethyl-4-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1,3-thiazol-2-amine
CID 82452260
N-methyl-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine
CID 11436742
3-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523299
3-[2-(methylamino)-1,3-thiazol-4-yl]-1-propan-2-ylpyridin-2-one
CID 82527106
N-[(1R)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 95201180

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)-1,3-thiazol-4-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 3-[2-(methylamino)-1,3-thiazol-4-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 82522670) is 3-[2-(methylamino)-1,3-thiazol-4-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-(methylamino)-1,3-thiazol-4-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 3-[2-(methylamino)-1,3-thiazol-4-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one is CNc1nc(-c2cc3c([nH]c2=O)CCCC3)cs1.
What is the InChIKey of 3-[2-(methylamino)-1,3-thiazol-4-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is SCURPAUGQFVASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-14-13-16-11(7-18-13)9-6-8-4-2-3-5-10(8)15-12(9)17/h6-7H,2-5H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 3-[2-(methylamino)-1,3-thiazol-4-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
3-[2-(methylamino)-1,3-thiazol-4-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 261.35 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)-1,3-thiazol-4-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 82522670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).