4-[5-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

C17H14ClF2N3S — CID 142379093

IUPAC4-[5-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESNC1=NC(c2cc(/C=C(\F)c3ccc(Cl)cn3)ccc2F)CCS1
InChIInChI=1S/C17H14ClF2N3S/c18-11-2-4-16(22-9-11)14(20)8-10-1-3-13(19)12(7-10)15-5-6-24-17(21)23-15/h1-4,7-9,15H,5-6H2,(H2,21,23)/b14-8-
InChIKeyRDFADKPAKGGIRT-ZSOIEALJSA-N
MW365.84 g/mol
LogP4.83
Rot. Bonds3

About 4-[5-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

4-[5-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 142379093) has the molecular formula C17H14ClF2N3S and a molecular weight of 365.84 g/mol. Its IUPAC name is 4-[5-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-[5-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID142379093
Molecular FormulaC17H14ClF2N3S
Molecular Weight365.84 g/mol
Exact Mass365.06
IUPAC Name4-[5-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESNC1=NC(c2cc(/C=C(\F)c3ccc(Cl)cn3)ccc2F)CCS1
InChIInChI=1S/C17H14ClF2N3S/c18-11-2-4-16(22-9-11)14(20)8-10-1-3-13(19)12(7-10)15-5-6-24-17(21)23-15/h1-4,7-9,15H,5-6H2,(H2,21,23)/b14-8-
InChIKeyRDFADKPAKGGIRT-ZSOIEALJSA-N
XLogP4.83
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-[(Z)-2-(5-but-3-yn-2-yloxypyrazin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 166991047
5-[5-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine
CID 145255097
5-[2-fluoro-5-[(Z)-2-fluoro-2-pyrido[3,4-b]pyrazin-7-ylethenyl]phenyl]-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine
CID 126557721
(7S)-5-[5-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-2-fluoro-3-pyridinyl]-7-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine;methyl formate
CID 145255326
6-[(Z)-2-[3-(2-amino-6-methyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl]-1-fluoroethenyl]pyridine-3-carbonitrile;3,3-dimethylmorpholine-4-carbaldehyde
CID 145255465
(1S,5S,6S)-3-amino-3'-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-N-phenylspiro[2-thia-4-azabicyclo[4.1.0]hept-3-ene-5,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-1-carboxamide
CID 135303635
6-[(Z)-2-[3-[(1S)-3-amino-7,7-difluoro-1-(methoxymethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-fluoroethenyl]pyridine-3-carbonitrile
CID 126555303
4-[2-fluoro-5-[(Z)-2-fluoro-2-(5-prop-2-enoxypyrazin-2-yl)ethenyl]phenyl]-8,8-dioxo-8λ6-thia-3-azabicyclo[3.2.1]oct-2-en-2-amine;fluoromethane
CID 142379378
[(3S)-2-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-3-methylcyclopropyl] N-fluorosulfanyl-N,N'-dimethylcarbamimidothioate
CID 145255499
tert-butyl N-[4-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-8,8-dioxo-8λ6-thia-3-azabicyclo[3.2.1]oct-2-en-2-yl]carbamate;ethane;fluoromethane
CID 142379311
5-[(Z)-2-[3-[3-amino-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-fluoroethenyl]pyrazine-2-carbonitrile;ethane
CID 145255156
[(1S,5S,6S)-3-amino-5-[2-fluoro-5-[(Z)-2-fluoro-2-(5-methyl-2-pyridinyl)ethenyl]phenyl]-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl]-pyrrolidin-1-ylmethanone
CID 135302164

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-[5-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 142379093) is 4-[5-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-[5-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-[5-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is NC1=NC(c2cc(/C=C(\F)c3ccc(Cl)cn3)ccc2F)CCS1.
What is the InChIKey of 4-[5-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is RDFADKPAKGGIRT-ZSOIEALJSA-N. The full InChI is InChI=1S/C17H14ClF2N3S/c18-11-2-4-16(22-9-11)14(20)8-10-1-3-13(19)12(7-10)15-5-6-24-17(21)23-15/h1-4,7-9,15H,5-6H2,(H2,21,23)/b14-8-.
What are the key properties of 4-[5-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-[5-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 365.84 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 142379093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).