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

C18H18N4OS — CID 95588913

IUPAC(5S)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCC[C@@H]2NCc1csc(-c2ccccn2)n1
InChIInChI=1S/C18H18N4OS/c23-17-8-7-13-14(5-3-6-15(13)22-17)20-10-12-11-24-18(21-12)16-4-1-2-9-19-16/h1-2,4,7-9,11,14,20H,3,5-6,10H2,(H,22,23)/t14-/m0/s1
InChIKeyFXHLPDOYNOZJBU-AWEZNQCLSA-N
MW338.44 g/mol
LogP3.06
Rot. Bonds4

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

(5S)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 95588913) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is (5S)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(5S)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID95588913
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name(5S)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCC[C@@H]2NCc1csc(-c2ccccn2)n1
InChIInChI=1S/C18H18N4OS/c23-17-8-7-13-14(5-3-6-15(13)22-17)20-10-12-11-24-18(21-12)16-4-1-2-9-19-16/h1-2,4,7-9,11,14,20H,3,5-6,10H2,(H,22,23)/t14-/m0/s1
InChIKeyFXHLPDOYNOZJBU-AWEZNQCLSA-N
XLogP3.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of (5S)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 95588913) is (5S)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for (5S)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for (5S)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=c1ccc2c([nH]1)CCC[C@@H]2NCc1csc(-c2ccccn2)n1.
What is the InChIKey of (5S)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is FXHLPDOYNOZJBU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18N4OS/c23-17-8-7-13-14(5-3-6-15(13)22-17)20-10-12-11-24-18(21-12)16-4-1-2-9-19-16/h1-2,4,7-9,11,14,20H,3,5-6,10H2,(H,22,23)/t14-/m0/s1.
What are the key properties of (5S)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
(5S)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 338.44 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 95588913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).