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

C18H16ClF2N3S — CID 135125965

IUPAC(4S)-4-[5-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESC[C@@]1(c2cc(/C=C(\F)c3ccc(Cl)cn3)ccc2F)CCSC(N)=N1
InChIInChI=1S/C18H16ClF2N3S/c1-18(6-7-25-17(22)24-18)13-8-11(2-4-14(13)20)9-15(21)16-5-3-12(19)10-23-16/h2-5,8-10H,6-7H2,1H3,(H2,22,24)/b15-9-/t18-/m0/s1
InChIKeySUXMDOZZNWAJIB-YHTSIIMFSA-N
MW379.86 g/mol
LogP5.01
Rot. Bonds3

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

(4S)-4-[5-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (PubChem CID 135125965) has the molecular formula C18H16ClF2N3S and a molecular weight of 379.86 g/mol. Its IUPAC name is (4S)-4-[5-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name(4S)-4-[5-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
PubChem CID135125965
Molecular FormulaC18H16ClF2N3S
Molecular Weight379.86 g/mol
Exact Mass379.07
IUPAC Name(4S)-4-[5-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESC[C@@]1(c2cc(/C=C(\F)c3ccc(Cl)cn3)ccc2F)CCSC(N)=N1
InChIInChI=1S/C18H16ClF2N3S/c1-18(6-7-25-17(22)24-18)13-8-11(2-4-14(13)20)9-15(21)16-5-3-12(19)10-23-16/h2-5,8-10H,6-7H2,1H3,(H2,22,24)/b15-9-/t18-/m0/s1
InChIKeySUXMDOZZNWAJIB-YHTSIIMFSA-N
XLogP5.01
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.86
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-4-[5-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[5-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of (4S)-4-[5-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (CID 135125965) is (4S)-4-[5-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for (4S)-4-[5-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for (4S)-4-[5-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is C[C@@]1(c2cc(/C=C(\F)c3ccc(Cl)cn3)ccc2F)CCSC(N)=N1.
What is the InChIKey of (4S)-4-[5-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is SUXMDOZZNWAJIB-YHTSIIMFSA-N. The full InChI is InChI=1S/C18H16ClF2N3S/c1-18(6-7-25-17(22)24-18)13-8-11(2-4-14(13)20)9-15(21)16-5-3-12(19)10-23-16/h2-5,8-10H,6-7H2,1H3,(H2,22,24)/b15-9-/t18-/m0/s1.
What are the key properties of (4S)-4-[5-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
(4S)-4-[5-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 379.86 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[5-[(Z)-2-(5-chloro-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 135125965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).