N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-3-methylaniline

C16H15FN2S — CID 9060522

IUPACN-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-3-methylaniline
SMILESCc1cccc(NN=C2CCSc3ccc(F)cc32)c1
InChIInChI=1S/C16H15FN2S/c1-11-3-2-4-13(9-11)18-19-15-7-8-20-16-6-5-12(17)10-14(15)16/h2-6,9-10,18H,7-8H2,1H3
InChIKeyLZRDFDUBAQSJGV-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.45
Rot. Bonds2

About N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-3-methylaniline

N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-3-methylaniline (PubChem CID 9060522) has the molecular formula C16H15FN2S and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-3-methylaniline.

Molecular Properties

Compound NameN-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-3-methylaniline
PubChem CID9060522
Molecular FormulaC16H15FN2S
Molecular Weight286.38 g/mol
Exact Mass286.09
IUPAC NameN-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-3-methylaniline
SMILESCc1cccc(NN=C2CCSc3ccc(F)cc32)c1
InChIInChI=1S/C16H15FN2S/c1-11-3-2-4-13(9-11)18-19-15-7-8-20-16-6-5-12(17)10-14(15)16/h2-6,9-10,18H,7-8H2,1H3
InChIKeyLZRDFDUBAQSJGV-UHFFFAOYSA-N
XLogP4.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methoxyanilino)acetamide
CID 4541197
(6Z)-6-[(3-methylphenyl)hydrazinylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
CID 46196409
N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 94724995
3-methyl-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]aniline
CID 9060687
N-[2-(4-fluorophenyl)ethyl]-3-methylaniline
CID 57041855
ethane;1-fluoro-3-methylbenzene
CID 123790085
3-[(3-fluorophenyl)hydrazinylidene]cyclohexan-1-one
CID 57300123
sodium;1-fluoro-3-methylbenzene;hydride
CID 174603883
ethane;N-[(Z)-ethylideneamino]-3-methylaniline
CID 142906604
5-N-(4-fluorophenyl)-5-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,5-diamine
CID 71289636
1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline
CID 43407810

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-3-methylaniline?
The IUPAC name of N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-3-methylaniline (CID 9060522) is N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-3-methylaniline.
What is the SMILES notation for N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-3-methylaniline?
The canonical SMILES for N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-3-methylaniline is Cc1cccc(NN=C2CCSc3ccc(F)cc32)c1.
What is the InChIKey of N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-3-methylaniline?
The InChIKey is LZRDFDUBAQSJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2S/c1-11-3-2-4-13(9-11)18-19-15-7-8-20-16-6-5-12(17)10-14(15)16/h2-6,9-10,18H,7-8H2,1H3.
What are the key properties of N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-3-methylaniline?
N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-3-methylaniline has a molecular weight of 286.38 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-3-methylaniline is sourced from PubChem (CID 9060522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).