2-[(2-ethyl-7-fluoro-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-ylidene)amino]ethanol

C15H16FN3OS — CID 135554552

IUPAC2-[(2-ethyl-7-fluoro-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-ylidene)amino]ethanol
SMILESCCc1cc2c(s1)Nc1ccc(F)cc1N/C2=N\CCO
InChIInChI=1S/C15H16FN3OS/c1-2-10-8-11-14(17-5-6-20)18-13-7-9(16)3-4-12(13)19-15(11)21-10/h3-4,7-8,19-20H,2,5-6H2,1H3,(H,17,18)
InChIKeyNNJVJKASGSCSSZ-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.36
Rot. Bonds3

About 2-[(2-ethyl-7-fluoro-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-ylidene)amino]ethanol

2-[(2-ethyl-7-fluoro-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-ylidene)amino]ethanol (PubChem CID 135554552) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[(2-ethyl-7-fluoro-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-ylidene)amino]ethanol.

Molecular Properties

Compound Name2-[(2-ethyl-7-fluoro-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-ylidene)amino]ethanol
PubChem CID135554552
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC Name2-[(2-ethyl-7-fluoro-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-ylidene)amino]ethanol
SMILESCCc1cc2c(s1)Nc1ccc(F)cc1N/C2=N\CCO
InChIInChI=1S/C15H16FN3OS/c1-2-10-8-11-14(17-5-6-20)18-13-7-9(16)3-4-12(13)19-15(11)21-10/h3-4,7-8,19-20H,2,5-6H2,1H3,(H,17,18)
InChIKeyNNJVJKASGSCSSZ-UHFFFAOYSA-N
XLogP3.36
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[(2-ethyl-7-fluoro-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-ylidene)amino]ethanol with MolForge

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Related Compounds

2-[(2-ethyl-7-fluoro-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-ylidene)amino]-N,N-dimethylethanamine
CID 135906646
2-ethyl-7-fluoro-4-piperidin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine
CID 135704101
2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepine
CID 137190540
8-fluoro-2-methyl-5,10-dihydrothieno[3,2-c][1,5]benzodiazepine-4-thione
CID 58860652
2-ethyl-8-fluoro-4-[3-(2-methoxyethyl)-4-methylpiperazin-1-yl]-10H-thieno[2,3-b][1,5]benzodiazepine;dihydrochloride
CID 69211708
2-ethyl-8-fluoro-4-[3-(2-methoxyethyl)piperazin-1-yl]-10H-thieno[2,3-b][1,5]benzodiazepine
CID 69210072
3-[1-(2,4-difluorophenyl)-1-oxopropan-2-yl]-6-ethyl-1,2-dihydrothieno[2,3-d]pyrimidin-4-one
CID 144895683
2-(2,4-difluorophenyl)-1-(5-ethylthiophen-2-yl)ethanol
CID 63893810
5-ethyl-3-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-amine
CID 63615475
7-chloro-2-ethyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine
CID 135570620
2-[4-(8-fluoro-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-2-yl]ethanol
CID 69215018
8-fluoro-3-methoxy-11,12-dihydro-6H-[1]benzothiolo[3,2-c][1,5]benzodiazepin-4-ol
CID 91323321

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-7-fluoro-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-ylidene)amino]ethanol?
The IUPAC name of 2-[(2-ethyl-7-fluoro-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-ylidene)amino]ethanol (CID 135554552) is 2-[(2-ethyl-7-fluoro-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-ylidene)amino]ethanol.
What is the SMILES notation for 2-[(2-ethyl-7-fluoro-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-ylidene)amino]ethanol?
The canonical SMILES for 2-[(2-ethyl-7-fluoro-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-ylidene)amino]ethanol is CCc1cc2c(s1)Nc1ccc(F)cc1N/C2=N\CCO.
What is the InChIKey of 2-[(2-ethyl-7-fluoro-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-ylidene)amino]ethanol?
The InChIKey is NNJVJKASGSCSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3OS/c1-2-10-8-11-14(17-5-6-20)18-13-7-9(16)3-4-12(13)19-15(11)21-10/h3-4,7-8,19-20H,2,5-6H2,1H3,(H,17,18).
What are the key properties of 2-[(2-ethyl-7-fluoro-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-ylidene)amino]ethanol?
2-[(2-ethyl-7-fluoro-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-ylidene)amino]ethanol has a molecular weight of 305.38 g/mol, XLogP of 3.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-7-fluoro-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-ylidene)amino]ethanol is sourced from PubChem (CID 135554552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).