(3S)-3-phenyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine

C13H12N2OS — CID 57229761

IUPAC(3S)-3-phenyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
SMILESNC1=N[C@@H](c2ccccc2)COc2ccsc21
InChIInChI=1S/C13H12N2OS/c14-13-12-11(6-7-17-12)16-8-10(15-13)9-4-2-1-3-5-9/h1-7,10H,8H2,(H2,14,15)/t10-/m1/s1
InChIKeyWORAMXFDYQUJHY-SNVBAGLBSA-N
MW244.32 g/mol
LogP2.59
Rot. Bonds1

About (3S)-3-phenyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine

(3S)-3-phenyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine (PubChem CID 57229761) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is (3S)-3-phenyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine.

Molecular Properties

Compound Name(3S)-3-phenyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
PubChem CID57229761
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name(3S)-3-phenyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
SMILESNC1=N[C@@H](c2ccccc2)COc2ccsc21
InChIInChI=1S/C13H12N2OS/c14-13-12-11(6-7-17-12)16-8-10(15-13)9-4-2-1-3-5-9/h1-7,10H,8H2,(H2,14,15)/t10-/m1/s1
InChIKeyWORAMXFDYQUJHY-SNVBAGLBSA-N
XLogP2.59
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-phenyl-2-[11-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-10-tetracyclo[6.4.0.04,12.05,9]dodec-10-enyl]-4,5-dihydro-1,3-oxazole
CID 101386692
CID 72964471
CID 72964471
(4S)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966828
4-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)aniline
CID 89120771
1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine
CID 59919098
5-(3-bromophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine
CID 16731316
N,N-bis[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]aniline
CID 129266025
3,5-diphenyl-2,3-dihydro-1,4-oxazin-6-one
CID 15206016
(4S)-4-phenyl-2-[[3-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole
CID 171317884
(4S)-2-(5-chlorothiophen-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 132555473
(4R)-4-phenyl-2-[5-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 166067950
3-phenyl-5-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one
CID 58508366

Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine?
The IUPAC name of (3S)-3-phenyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine (CID 57229761) is (3S)-3-phenyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine.
What is the SMILES notation for (3S)-3-phenyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine?
The canonical SMILES for (3S)-3-phenyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine is NC1=N[C@@H](c2ccccc2)COc2ccsc21.
What is the InChIKey of (3S)-3-phenyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine?
The InChIKey is WORAMXFDYQUJHY-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H12N2OS/c14-13-12-11(6-7-17-12)16-8-10(15-13)9-4-2-1-3-5-9/h1-7,10H,8H2,(H2,14,15)/t10-/m1/s1.
What are the key properties of (3S)-3-phenyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine?
(3S)-3-phenyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine has a molecular weight of 244.32 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine is sourced from PubChem (CID 57229761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).