4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine

C10H10F3N5S2 — CID 114566901

IUPAC4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCc1nsc(Sc2cc(C(F)(F)F)nc(NC)n2)n1
InChIInChI=1S/C10H10F3N5S2/c1-3-6-16-9(20-18-6)19-7-4-5(10(11,12)13)15-8(14-2)17-7/h4H,3H2,1-2H3,(H,14,15,17)
InChIKeyHMEZWEVCGDGXRH-UHFFFAOYSA-N
MW321.35 g/mol
LogP3.10
Rot. Bonds4

About 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine

4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114566901) has the molecular formula C10H10F3N5S2 and a molecular weight of 321.35 g/mol. Its IUPAC name is 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114566901
Molecular FormulaC10H10F3N5S2
Molecular Weight321.35 g/mol
Exact Mass321.03
IUPAC Name4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCc1nsc(Sc2cc(C(F)(F)F)nc(NC)n2)n1
InChIInChI=1S/C10H10F3N5S2/c1-3-6-16-9(20-18-6)19-7-4-5(10(11,12)13)15-8(14-2)17-7/h4H,3H2,1-2H3,(H,14,15,17)
InChIKeyHMEZWEVCGDGXRH-UHFFFAOYSA-N
XLogP3.10
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102720407
N-ethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566913
2-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 114566668
5-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-3-methyl-1,2,4-thiadiazole
CID 114563065
[2-tert-butyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-yl]hydrazine
CID 80980190
4-(3-methoxyphenyl)sulfanyl-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566730
2-tert-butyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80963962
2-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-4-carboxylic acid
CID 113380415
[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980095
2-methyl-3-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 114566873
2-cyclopropyl-N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80964140
4-tert-butylsulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566701

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 114566901) is 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is CCc1nsc(Sc2cc(C(F)(F)F)nc(NC)n2)n1.
What is the InChIKey of 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is HMEZWEVCGDGXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5S2/c1-3-6-16-9(20-18-6)19-7-4-5(10(11,12)13)15-8(14-2)17-7/h4H,3H2,1-2H3,(H,14,15,17).
What are the key properties of 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 321.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114566901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).