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

C14H12FN3S — CID 3355664

IUPACN-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine
SMILESFc1ccc2c(c1)C(=NNc1ccccn1)CCS2
InChIInChI=1S/C14H12FN3S/c15-10-4-5-13-11(9-10)12(6-8-19-13)17-18-14-3-1-2-7-16-14/h1-5,7,9H,6,8H2,(H,16,18)
InChIKeyTVBVWQBKHMVVAE-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.53
Rot. Bonds2

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

N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine (PubChem CID 3355664) has the molecular formula C14H12FN3S and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine.

Molecular Properties

Compound NameN-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine
PubChem CID3355664
Molecular FormulaC14H12FN3S
Molecular Weight273.34 g/mol
Exact Mass273.07
IUPAC NameN-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine
SMILESFc1ccc2c(c1)C(=NNc1ccccn1)CCS2
InChIInChI=1S/C14H12FN3S/c15-10-4-5-13-11(9-10)12(6-8-19-13)17-18-14-3-1-2-7-16-14/h1-5,7,9H,6,8H2,(H,16,18)
InChIKeyTVBVWQBKHMVVAE-UHFFFAOYSA-N
XLogP3.53
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine
CID 6217618
N-[(E)-(2,6-difluorophenyl)methylideneamino]pyridin-2-amine
CID 9640541
N-[(E)-(3-fluorophenyl)methylideneamino]pyridin-2-amine
CID 9662457
N-[(E)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine
CID 9665691
4-Fluorobenzaldehyde 2-pyridinylhydrazone
CID 9641019
N-[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]-5-(trifluoromethyl)pyridin-2-amine
CID 9668454
5-(Benzylsulfanyl)pyridin-2-amine
CID 28412332
3-chloro-N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-5-(trifluoromethyl)pyridin-2-amine
CID 2741211
2-Fluorobenzaldehyde 2-pyridinylhydrazone
CID 5339861
3-chloro-N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-5-(trifluoromethyl)pyridin-2-amine
CID 5703553
2-Thiophenaldehyde 2-pyridylhydrazone
CID 135764863
N-[(E)-1-phenylethylideneamino]pyridin-2-amine
CID 5717176

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine?
The IUPAC name of N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine (CID 3355664) is N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine.
What is the SMILES notation for N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine?
The canonical SMILES for N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine is Fc1ccc2c(c1)C(=NNc1ccccn1)CCS2.
What is the InChIKey of N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine?
The InChIKey is TVBVWQBKHMVVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3S/c15-10-4-5-13-11(9-10)12(6-8-19-13)17-18-14-3-1-2-7-16-14/h1-5,7,9H,6,8H2,(H,16,18).
What are the key properties of N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine?
N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine has a molecular weight of 273.34 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine is sourced from PubChem (CID 3355664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).