7-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one

C16H16F3N3OS — CID 146140370

IUPAC7-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1CCCc2cc(NCc3cnc(CC(F)(F)F)s3)ccc2N1
InChIInChI=1S/C16H16F3N3OS/c17-16(18,19)7-15-21-9-12(24-15)8-20-11-4-5-13-10(6-11)2-1-3-14(23)22-13/h4-6,9,20H,1-3,7-8H2,(H,22,23)
InChIKeySTERYBGNZAWWDR-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.13
Rot. Bonds4

About 7-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one

7-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 146140370) has the molecular formula C16H16F3N3OS and a molecular weight of 355.39 g/mol. Its IUPAC name is 7-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name7-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID146140370
Molecular FormulaC16H16F3N3OS
Molecular Weight355.39 g/mol
Exact Mass355.10
IUPAC Name7-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1CCCc2cc(NCc3cnc(CC(F)(F)F)s3)ccc2N1
InChIInChI=1S/C16H16F3N3OS/c17-16(18,19)7-15-21-9-12(24-15)8-20-11-4-5-13-10(6-11)2-1-3-14(23)22-13/h4-6,9,20H,1-3,7-8H2,(H,22,23)
InChIKeySTERYBGNZAWWDR-UHFFFAOYSA-N
XLogP4.13
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one with MolForge

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Related Compounds

6-[(5-bromothiophen-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43737971
7-[[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 95980194
6-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 104749401
7-[3-(trifluoromethyl)anilino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 86342434
7-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 167850056
N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 75472749
6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4,4-dimethyl-1,3-dihydroquinolin-2-one
CID 168580850
6-(cyclopentylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 62071402
6-[(4-amino-4-methylpentyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 115205137
6-(cyclopropylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43738023
6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 168581627
6-[(4-chloro-2-fluorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 114841931

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 7-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 146140370) is 7-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 7-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 7-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one is O=C1CCCc2cc(NCc3cnc(CC(F)(F)F)s3)ccc2N1.
What is the InChIKey of 7-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is STERYBGNZAWWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3OS/c17-16(18,19)7-15-21-9-12(24-15)8-20-11-4-5-13-10(6-11)2-1-3-14(23)22-13/h4-6,9,20H,1-3,7-8H2,(H,22,23).
What are the key properties of 7-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
7-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 355.39 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 146140370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).