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

C14H15N3OS — CID 95475662

IUPAC6-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCNCc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1
InChIInChI=1S/C14H15N3OS/c1-15-7-14-17-12(8-19-14)10-2-4-11-9(6-10)3-5-13(18)16-11/h2,4,6,8,15H,3,5,7H2,1H3,(H,16,18)
InChIKeyWCAPCIROMQKALH-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.41
Rot. Bonds3

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

6-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 95475662) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 6-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID95475662
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name6-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCNCc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1
InChIInChI=1S/C14H15N3OS/c1-15-7-14-17-12(8-19-14)10-2-4-11-9(6-10)3-5-13(18)16-11/h2,4,6,8,15H,3,5,7H2,1H3,(H,16,18)
InChIKeyWCAPCIROMQKALH-UHFFFAOYSA-N
XLogP2.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343342
6-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 131960408
6-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343816
1,1-dioxo-2-[[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-3-one
CID 39948807
N-[[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]methyl]pentanamide
CID 110351108
6-[6-methyl-2-(methylamino)pyrimidin-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 116894637
6-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 58910717
6-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343413
6-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343463
3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanenitrile
CID 116866806
6-[2-bromo-5-(methylaminomethyl)-1H-imidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 84610309
2-methyl-N-[[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
CID 110351164

Frequently Asked Questions

What is the IUPAC name of 6-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (CID 95475662) is 6-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is CNCc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1.
What is the InChIKey of 6-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WCAPCIROMQKALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-15-7-14-17-12(8-19-14)10-2-4-11-9(6-10)3-5-13(18)16-11/h2,4,6,8,15H,3,5,7H2,1H3,(H,16,18).
What are the key properties of 6-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 273.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 95475662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).