(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(2-fluorophenyl)sulfanylacetate

C18H16FN5O2S — CID 7593898

IUPAC(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(2-fluorophenyl)sulfanylacetate
SMILESNc1nc(COC(=O)CSc2ccccc2F)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H16FN5O2S/c19-13-8-4-5-9-14(13)27-11-16(25)26-10-15-22-17(20)24-18(23-15)21-12-6-2-1-3-7-12/h1-9H,10-11H2,(H3,20,21,22,23,24)
InChIKeyVSSRZDVSFBMIFC-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.17
Rot. Bonds7

About (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(2-fluorophenyl)sulfanylacetate

(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(2-fluorophenyl)sulfanylacetate (PubChem CID 7593898) has the molecular formula C18H16FN5O2S and a molecular weight of 385.42 g/mol. Its IUPAC name is (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(2-fluorophenyl)sulfanylacetate.

Molecular Properties

Compound Name(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(2-fluorophenyl)sulfanylacetate
PubChem CID7593898
Molecular FormulaC18H16FN5O2S
Molecular Weight385.42 g/mol
Exact Mass385.10
IUPAC Name(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(2-fluorophenyl)sulfanylacetate
SMILESNc1nc(COC(=O)CSc2ccccc2F)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H16FN5O2S/c19-13-8-4-5-9-14(13)27-11-16(25)26-10-15-22-17(20)24-18(23-15)21-12-6-2-1-3-7-12/h1-9H,10-11H2,(H3,20,21,22,23,24)
InChIKeyVSSRZDVSFBMIFC-UHFFFAOYSA-N
XLogP3.17
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(2-fluorophenyl)sulfanylacetate 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

[4-Amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 3-(benzenesulfonyl)propanoate
CID 2538646
[4-Amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 3-(4-methylphenyl)sulfonylpropanoate
CID 16295503
[4-Amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 3-(benzenesulfonyl)propanoate
CID 24982979
3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-(3-fluorophenyl)propanamide
CID 40011191
Ethyl 2-[[4-amino-6-(2-fluoroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]acetate
CID 156597773
[4-Amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-(2-fluorophenyl)sulfanylacetate
CID 7225138
6-[(4-fluorophenyl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 7593863
(4-Amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-(4-fluorophenyl)sulfanylpropanoate
CID 7593915
6-[(3,4-difluorophenyl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 7603048
[4-Amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(2-fluorophenyl)sulfanylacetate
CID 7603434
[4-Amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 2-(2-fluorophenyl)sulfanylacetate
CID 7631591
[4-Amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 3-(4-fluorophenyl)sulfanylpropanoate
CID 7651033

Frequently Asked Questions

What is the IUPAC name of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(2-fluorophenyl)sulfanylacetate?
The IUPAC name of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(2-fluorophenyl)sulfanylacetate (CID 7593898) is (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(2-fluorophenyl)sulfanylacetate.
What is the SMILES notation for (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(2-fluorophenyl)sulfanylacetate?
The canonical SMILES for (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(2-fluorophenyl)sulfanylacetate is Nc1nc(COC(=O)CSc2ccccc2F)nc(Nc2ccccc2)n1.
What is the InChIKey of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(2-fluorophenyl)sulfanylacetate?
The InChIKey is VSSRZDVSFBMIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2S/c19-13-8-4-5-9-14(13)27-11-16(25)26-10-15-22-17(20)24-18(23-15)21-12-6-2-1-3-7-12/h1-9H,10-11H2,(H3,20,21,22,23,24).
What are the key properties of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(2-fluorophenyl)sulfanylacetate?
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(2-fluorophenyl)sulfanylacetate has a molecular weight of 385.42 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(2-fluorophenyl)sulfanylacetate is sourced from PubChem (CID 7593898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).