6-methylsulfanyl-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine

C14H16F3N5OS — CID 14574962

IUPAC6-methylsulfanyl-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCSc1nc(N)nc(NC(C)COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H16F3N5OS/c1-8(19-12-20-11(18)21-13(22-12)24-2)7-23-10-5-3-4-9(6-10)14(15,16)17/h3-6,8H,7H2,1-2H3,(H3,18,19,20,21,22)
InChIKeyOPZMMJKDUMQMJV-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.07
Rot. Bonds6

About 6-methylsulfanyl-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine

6-methylsulfanyl-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 14574962) has the molecular formula C14H16F3N5OS and a molecular weight of 359.38 g/mol. Its IUPAC name is 6-methylsulfanyl-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methylsulfanyl-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine
PubChem CID14574962
Molecular FormulaC14H16F3N5OS
Molecular Weight359.38 g/mol
Exact Mass359.10
IUPAC Name6-methylsulfanyl-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCSc1nc(N)nc(NC(C)COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H16F3N5OS/c1-8(19-12-20-11(18)21-13(22-12)24-2)7-23-10-5-3-4-9(6-10)14(15,16)17/h3-6,8H,7H2,1-2H3,(H3,18,19,20,21,22)
InChIKeyOPZMMJKDUMQMJV-UHFFFAOYSA-N
XLogP3.07
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-methylsulfanyl-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N4-ethyl-6-[2-(4-methylphenoxy)ethylthio]-N2-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 1819215
N'-ethyl-N,N-dimethyl-6-{[2-(4-methylphenoxy)ethyl]thio}-1,3,5-triazine-2,4-diamine
CID 3237954
N,N'-diethyl-6-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1,3,5-triazine-2,4-diamine
CID 1819214
6-[2-(4-methylphenoxy)ethylsulfanyl]-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
CID 1819216
Triaziflam
CID 10947588
6-chloro-N-ethyl-N'-[2-(4-methylphenoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 15945094
N-ethyl-N-{4-(isopropylamino)-6-[(2-phenoxyethyl)sulfanyl]-1,3,5-triazin-2-yl}amine
CID 1819211
2-N-[1-(3,5-dimethylphenoxy)butan-2-yl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 10915243
2-Amino4-isopropyl-6-[2-(3-trifluoromethylphenoxy)-1-ethyl-ethylamino]-1,3,5-triazine
CID 11036020
2-N-[1-cyclopentyl-2-(3-methylphenoxy)ethyl]-6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine-2,4-diamine
CID 11338929
6-chloro-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine
CID 14574947
2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
CID 15022768

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methylsulfanyl-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine (CID 14574962) is 6-methylsulfanyl-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methylsulfanyl-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methylsulfanyl-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine is CSc1nc(N)nc(NC(C)COc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 6-methylsulfanyl-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is OPZMMJKDUMQMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5OS/c1-8(19-12-20-11(18)21-13(22-12)24-2)7-23-10-5-3-4-9(6-10)14(15,16)17/h3-6,8H,7H2,1-2H3,(H3,18,19,20,21,22).
What are the key properties of 6-methylsulfanyl-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine?
6-methylsulfanyl-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 359.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 14574962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).