2-(8-amino-6H-thieno[3,4-c]azepin-4-yl)-5-(trifluoromethyl)phenol

C15H11F3N2OS — CID 167493121

IUPAC2-(8-amino-6H-thieno[3,4-c]azepin-4-yl)-5-(trifluoromethyl)phenol
SMILESNC1=CCN=C(c2ccc(C(F)(F)F)cc2O)c2cscc21
InChIInChI=1S/C15H11F3N2OS/c16-15(17,18)8-1-2-9(13(21)5-8)14-11-7-22-6-10(11)12(19)3-4-20-14/h1-3,5-7,21H,4,19H2
InChIKeyUVUOTGSPSHXUDU-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.62
Rot. Bonds1

About 2-(8-amino-6H-thieno[3,4-c]azepin-4-yl)-5-(trifluoromethyl)phenol

2-(8-amino-6H-thieno[3,4-c]azepin-4-yl)-5-(trifluoromethyl)phenol (PubChem CID 167493121) has the molecular formula C15H11F3N2OS and a molecular weight of 324.33 g/mol. Its IUPAC name is 2-(8-amino-6H-thieno[3,4-c]azepin-4-yl)-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(8-amino-6H-thieno[3,4-c]azepin-4-yl)-5-(trifluoromethyl)phenol
PubChem CID167493121
Molecular FormulaC15H11F3N2OS
Molecular Weight324.33 g/mol
Exact Mass324.05
IUPAC Name2-(8-amino-6H-thieno[3,4-c]azepin-4-yl)-5-(trifluoromethyl)phenol
SMILESNC1=CCN=C(c2ccc(C(F)(F)F)cc2O)c2cscc21
InChIInChI=1S/C15H11F3N2OS/c16-15(17,18)8-1-2-9(13(21)5-8)14-11-7-22-6-10(11)12(19)3-4-20-14/h1-3,5-7,21H,4,19H2
InChIKeyUVUOTGSPSHXUDU-UHFFFAOYSA-N
XLogP3.62
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-6H-furo[2,3-c]azepin-8-yl)-5-(trifluoromethyl)phenol
CID 167492850
ethane;5-[2-methyl-4-(trifluoromethyl)phenyl]-7H-pyrido[4,3-c]azepin-9-amine
CID 167492727
1-[2-(difluoromethoxy)-4-(trifluoromethyl)phenyl]-3H-2-benzazepin-5-amine
CID 167493028
2-(5-amino-8,8-dimethyl-6,7-dihydro-3H-cyclopenta[c]azepin-1-yl)-5-(trifluoromethyl)phenol;1-methylpiperidine
CID 167492537
5-[2-[(Z)-1-methyliminobut-2-en-2-yl]-4-(trifluoromethyl)phenyl]-7H-pyrido[4,3-c]azepin-9-amine
CID 167492676
2-(5-amino-3,6,7,8-tetrahydrocyclopenta[c]azepin-1-yl)-5-chlorophenol
CID 167493289
2-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-yl)-5-(trifluoromethyl)phenol
CID 167138135
2-[9-(2-butyl-4-methylhexyl)-7H-pyrido[4,3-c]azepin-5-yl]-5-(trifluoromethyl)phenol
CID 167492954
ethane;5-[2-(1-fluoroethyl)-4-(trifluoromethyl)phenyl]-7H-pyrido[4,3-c]azepin-9-amine;2-methyloctane
CID 167492858
2-(2-amino-1,3-benzothiazol-4-yl)-5-(trifluoromethyl)phenol
CID 87736788
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
2-[2-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-5-(trifluoromethyl)phenol
CID 146171671

Frequently Asked Questions

What is the IUPAC name of 2-(8-amino-6H-thieno[3,4-c]azepin-4-yl)-5-(trifluoromethyl)phenol?
The IUPAC name of 2-(8-amino-6H-thieno[3,4-c]azepin-4-yl)-5-(trifluoromethyl)phenol (CID 167493121) is 2-(8-amino-6H-thieno[3,4-c]azepin-4-yl)-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(8-amino-6H-thieno[3,4-c]azepin-4-yl)-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-(8-amino-6H-thieno[3,4-c]azepin-4-yl)-5-(trifluoromethyl)phenol is NC1=CCN=C(c2ccc(C(F)(F)F)cc2O)c2cscc21.
What is the InChIKey of 2-(8-amino-6H-thieno[3,4-c]azepin-4-yl)-5-(trifluoromethyl)phenol?
The InChIKey is UVUOTGSPSHXUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2OS/c16-15(17,18)8-1-2-9(13(21)5-8)14-11-7-22-6-10(11)12(19)3-4-20-14/h1-3,5-7,21H,4,19H2.
What are the key properties of 2-(8-amino-6H-thieno[3,4-c]azepin-4-yl)-5-(trifluoromethyl)phenol?
2-(8-amino-6H-thieno[3,4-c]azepin-4-yl)-5-(trifluoromethyl)phenol has a molecular weight of 324.33 g/mol, XLogP of 3.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-amino-6H-thieno[3,4-c]azepin-4-yl)-5-(trifluoromethyl)phenol is sourced from PubChem (CID 167493121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).