N-[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine

C14H12FN3O2S — CID 6217618

IUPACN-[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine
SMILESO=S1(=O)CC/C(=N/Nc2ccccn2)c2cc(F)ccc21
InChIInChI=1S/C14H12FN3O2S/c15-10-4-5-13-11(9-10)12(6-8-21(13,19)20)17-18-14-3-1-2-7-16-14/h1-5,7,9H,6,8H2,(H,16,18)/b17-12-
InChIKeyFANNOWUSHOMCRC-ATVHPVEESA-N
MW305.33 g/mol
LogP2.21
Rot. Bonds2

About N-[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine

N-[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine (PubChem CID 6217618) has the molecular formula C14H12FN3O2S and a molecular weight of 305.33 g/mol. Its IUPAC name is N-[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine
PubChem CID6217618
Molecular FormulaC14H12FN3O2S
Molecular Weight305.33 g/mol
Exact Mass305.06
IUPAC NameN-[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine
SMILESO=S1(=O)CC/C(=N/Nc2ccccn2)c2cc(F)ccc21
InChIInChI=1S/C14H12FN3O2S/c15-10-4-5-13-11(9-10)12(6-8-21(13,19)20)17-18-14-3-1-2-7-16-14/h1-5,7,9H,6,8H2,(H,16,18)/b17-12-
InChIKeyFANNOWUSHOMCRC-ATVHPVEESA-N
XLogP2.21
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine with MolForge

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Related Compounds

N-[(E)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine
CID 9665691
N-[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]-5-(trifluoromethyl)pyridin-2-amine
CID 9668454
3-chloro-N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-5-(trifluoromethyl)pyridin-2-amine
CID 2741211
3-chloro-N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-5-(trifluoromethyl)pyridin-2-amine
CID 5703553
5-(3-Fluoro-2'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl)pyridin-2-amine
CID 90314621
N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine
CID 3355664
CID 3429680
CID 3429680
N-[(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine
CID 4840461
3-chloro-N-[(E)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-5-(trifluoromethyl)pyridin-2-amine
CID 5917902
N,N-diethyl-6-[(2E)-2-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydrazinyl]pyridine-3-sulfonamide
CID 42912696
N-[(E)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 53534095
N,N-diethyl-6-[2-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydrazinyl]pyridine-3-sulfonamide
CID 72034977

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine?
The IUPAC name of N-[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine (CID 6217618) is N-[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine.
What is the SMILES notation for N-[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine?
The canonical SMILES for N-[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine is O=S1(=O)CC/C(=N/Nc2ccccn2)c2cc(F)ccc21.
What is the InChIKey of N-[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine?
The InChIKey is FANNOWUSHOMCRC-ATVHPVEESA-N. The full InChI is InChI=1S/C14H12FN3O2S/c15-10-4-5-13-11(9-10)12(6-8-21(13,19)20)17-18-14-3-1-2-7-16-14/h1-5,7,9H,6,8H2,(H,16,18)/b17-12-.
What are the key properties of N-[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine?
N-[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine has a molecular weight of 305.33 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine is sourced from PubChem (CID 6217618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).