(Z)-2-N-(3,5-difluoro-4-thiomorpholin-4-ylphenyl)prop-1-ene-1,2,3-triamine

C13H18F2N4S — CID 142263698

IUPAC(Z)-2-N-(3,5-difluoro-4-thiomorpholin-4-ylphenyl)prop-1-ene-1,2,3-triamine
SMILESN/C=C(/CN)Nc1cc(F)c(N2CCSCC2)c(F)c1
InChIInChI=1S/C13H18F2N4S/c14-11-5-9(18-10(7-16)8-17)6-12(15)13(11)19-1-3-20-4-2-19/h5-7,18H,1-4,8,16-17H2/b10-7-
InChIKeyGZMBBFJGXAIMPU-YFHOEESVSA-N
MW300.38 g/mol
LogP1.69
Rot. Bonds4

About (Z)-2-N-(3,5-difluoro-4-thiomorpholin-4-ylphenyl)prop-1-ene-1,2,3-triamine

(Z)-2-N-(3,5-difluoro-4-thiomorpholin-4-ylphenyl)prop-1-ene-1,2,3-triamine (PubChem CID 142263698) has the molecular formula C13H18F2N4S and a molecular weight of 300.38 g/mol. Its IUPAC name is (Z)-2-N-(3,5-difluoro-4-thiomorpholin-4-ylphenyl)prop-1-ene-1,2,3-triamine.

Molecular Properties

Compound Name(Z)-2-N-(3,5-difluoro-4-thiomorpholin-4-ylphenyl)prop-1-ene-1,2,3-triamine
PubChem CID142263698
Molecular FormulaC13H18F2N4S
Molecular Weight300.38 g/mol
Exact Mass300.12
IUPAC Name(Z)-2-N-(3,5-difluoro-4-thiomorpholin-4-ylphenyl)prop-1-ene-1,2,3-triamine
SMILESN/C=C(/CN)Nc1cc(F)c(N2CCSCC2)c(F)c1
InChIInChI=1S/C13H18F2N4S/c14-11-5-9(18-10(7-16)8-17)6-12(15)13(11)19-1-3-20-4-2-19/h5-7,18H,1-4,8,16-17H2/b10-7-
InChIKeyGZMBBFJGXAIMPU-YFHOEESVSA-N
XLogP1.69
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze (Z)-2-N-(3,5-difluoro-4-thiomorpholin-4-ylphenyl)prop-1-ene-1,2,3-triamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3,5-difluoro-4-thiomorpholin-4-ylphenyl)methyl]ethanamine
CID 63051774
4-(4-tert-butyl-2,6-difluorophenyl)thiomorpholine
CID 146324170
3,5-difluoro-4-(1,4-thiazepan-4-yl)benzenecarboximidamide
CID 81294385
4-[2,6-difluoro-4-(4-methyltriazol-1-yl)phenyl]thiomorpholine
CID 20810166
(E)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-3-phenylprop-2-enamide
CID 52666568
(2-fluoro-4-thiomorpholin-4-ylphenyl)methanamine
CID 115366694
2-cyano-N-(3-fluoro-4-thiomorpholin-4-ylphenyl)acetamide
CID 168520386
(Z)-1-N-[(1E,3Z,7E)-3,7-difluoro-4-thiomorpholin-4-ylcycloocta-1,3,7-trien-1-yl]prop-1-ene-1,2,3-triamine
CID 142263676
5-fluoro-4-thiomorpholin-4-ylpyridin-3-amine
CID 144642146
(3,5-difluoro-4-thiomorpholin-4-ylphenyl)-[3-(methoxycarbonylamino)propyl]carbamic acid
CID 170788153
N-[[(5S)-3-(3,5-difluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methanol
CID 166748430
(1R,2R,4S)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98284425

Frequently Asked Questions

What is the IUPAC name of (Z)-2-N-(3,5-difluoro-4-thiomorpholin-4-ylphenyl)prop-1-ene-1,2,3-triamine?
The IUPAC name of (Z)-2-N-(3,5-difluoro-4-thiomorpholin-4-ylphenyl)prop-1-ene-1,2,3-triamine (CID 142263698) is (Z)-2-N-(3,5-difluoro-4-thiomorpholin-4-ylphenyl)prop-1-ene-1,2,3-triamine.
What is the SMILES notation for (Z)-2-N-(3,5-difluoro-4-thiomorpholin-4-ylphenyl)prop-1-ene-1,2,3-triamine?
The canonical SMILES for (Z)-2-N-(3,5-difluoro-4-thiomorpholin-4-ylphenyl)prop-1-ene-1,2,3-triamine is N/C=C(/CN)Nc1cc(F)c(N2CCSCC2)c(F)c1.
What is the InChIKey of (Z)-2-N-(3,5-difluoro-4-thiomorpholin-4-ylphenyl)prop-1-ene-1,2,3-triamine?
The InChIKey is GZMBBFJGXAIMPU-YFHOEESVSA-N. The full InChI is InChI=1S/C13H18F2N4S/c14-11-5-9(18-10(7-16)8-17)6-12(15)13(11)19-1-3-20-4-2-19/h5-7,18H,1-4,8,16-17H2/b10-7-.
What are the key properties of (Z)-2-N-(3,5-difluoro-4-thiomorpholin-4-ylphenyl)prop-1-ene-1,2,3-triamine?
(Z)-2-N-(3,5-difluoro-4-thiomorpholin-4-ylphenyl)prop-1-ene-1,2,3-triamine has a molecular weight of 300.38 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-N-(3,5-difluoro-4-thiomorpholin-4-ylphenyl)prop-1-ene-1,2,3-triamine is sourced from PubChem (CID 142263698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).