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

C16H21N3OS — CID 154748280

IUPAC5-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC(C)c1nc(CNC2CCCc3[nH]c(=O)ccc32)cs1
InChIInChI=1S/C16H21N3OS/c1-10(2)16-18-11(9-21-16)8-17-13-4-3-5-14-12(13)6-7-15(20)19-14/h6-7,9-10,13,17H,3-5,8H2,1-2H3,(H,19,20)
InChIKeyBMAMEEDELRYJIZ-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.12
Rot. Bonds4

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

5-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 154748280) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 5-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID154748280
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name5-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC(C)c1nc(CNC2CCCc3[nH]c(=O)ccc32)cs1
InChIInChI=1S/C16H21N3OS/c1-10(2)16-18-11(9-21-16)8-17-13-4-3-5-14-12(13)6-7-15(20)19-14/h6-7,9-10,13,17H,3-5,8H2,1-2H3,(H,19,20)
InChIKeyBMAMEEDELRYJIZ-UHFFFAOYSA-N
XLogP3.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 154748280) is 5-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is CC(C)c1nc(CNC2CCCc3[nH]c(=O)ccc32)cs1.
What is the InChIKey of 5-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is BMAMEEDELRYJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-10(2)16-18-11(9-21-16)8-17-13-4-3-5-14-12(13)6-7-15(20)19-14/h6-7,9-10,13,17H,3-5,8H2,1-2H3,(H,19,20).
What are the key properties of 5-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 303.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 154748280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).