[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl morpholine-4-carbodithioate

C15H17FN6OS2 — CID 1385849

IUPAC[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl morpholine-4-carbodithioate
SMILESNc1nc(CSC(=S)N2CCOCC2)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN6OS2/c16-10-1-3-11(4-2-10)18-14-20-12(19-13(17)21-14)9-25-15(24)22-5-7-23-8-6-22/h1-4H,5-9H2,(H3,17,18,19,20,21)
InChIKeyZVXUBOYNSIFJCE-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.19
Rot. Bonds4

About [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl morpholine-4-carbodithioate

[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl morpholine-4-carbodithioate (PubChem CID 1385849) has the molecular formula C15H17FN6OS2 and a molecular weight of 380.47 g/mol. Its IUPAC name is [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl morpholine-4-carbodithioate.

Molecular Properties

Compound Name[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl morpholine-4-carbodithioate
PubChem CID1385849
Molecular FormulaC15H17FN6OS2
Molecular Weight380.47 g/mol
Exact Mass380.09
IUPAC Name[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl morpholine-4-carbodithioate
SMILESNc1nc(CSC(=S)N2CCOCC2)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN6OS2/c16-10-1-3-11(4-2-10)18-14-20-12(19-13(17)21-14)9-25-15(24)22-5-7-23-8-6-22/h1-4H,5-9H2,(H3,17,18,19,20,21)
InChIKeyZVXUBOYNSIFJCE-UHFFFAOYSA-N
XLogP2.19
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl morpholine-4-carbodithioate with MolForge

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Launch Full Analysis

Related Compounds

(4-Amino-6-anilino-1,3,5-triazin-2-yl)methyl piperidine-1-carbodithioate
CID 1318896
(4-Amino-6-anilino-1,3,5-triazin-2-yl)methyl morpholine-4-carbodithioate
CID 1319484
(4-Amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-phenylpiperazine-1-carbodithioate
CID 1286500
4-Morpholinecarbodithioic acid [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl ester
CID 1294727
{4-Amino-6-[(2,4-dimethylphenyl)amino]-1,3,5-triazin-2-yl}methyl morpholine-4-carbodithioate
CID 2067642
4-(4-Fluoroanilino)-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 145982654
4-(3-Fluoroanilino)-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 145983823
{4-Amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-methylpiperazine-1-carbodithioate
CID 1319814
{4-Amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-phenylpiperazine-1-carbodithioate
CID 1383270
[4-Amino-6-(3-toluidino)-1,3,5-triazin-2-yl]methyl 4-morpholinecarbodithioate
CID 1397223
(4-Amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-methylpiperidine-1-carbodithioate
CID 1627348
[4-Amino-6-(phenylamino)-1,3,5-triazin-2-yl]methyl 3,5-dimethylpiperidine-1-carbodithioate
CID 5178097

Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl morpholine-4-carbodithioate?
The IUPAC name of [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl morpholine-4-carbodithioate (CID 1385849) is [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl morpholine-4-carbodithioate.
What is the SMILES notation for [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl morpholine-4-carbodithioate?
The canonical SMILES for [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl morpholine-4-carbodithioate is Nc1nc(CSC(=S)N2CCOCC2)nc(Nc2ccc(F)cc2)n1.
What is the InChIKey of [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl morpholine-4-carbodithioate?
The InChIKey is ZVXUBOYNSIFJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN6OS2/c16-10-1-3-11(4-2-10)18-14-20-12(19-13(17)21-14)9-25-15(24)22-5-7-23-8-6-22/h1-4H,5-9H2,(H3,17,18,19,20,21).
What are the key properties of [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl morpholine-4-carbodithioate?
[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl morpholine-4-carbodithioate has a molecular weight of 380.47 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl morpholine-4-carbodithioate is sourced from PubChem (CID 1385849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).