4-(1,3,4-thiadiazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine

C7H4F3N5S2 — CID 114566656

IUPAC4-(1,3,4-thiadiazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1nc(Sc2nncs2)cc(C(F)(F)F)n1
InChIInChI=1S/C7H4F3N5S2/c8-7(9,10)3-1-4(14-5(11)13-3)17-6-15-12-2-16-6/h1-2H,(H2,11,13,14)
InChIKeyWANMCWDFYDQBGM-UHFFFAOYSA-N
MW279.27 g/mol
LogP2.08
Rot. Bonds2

About 4-(1,3,4-thiadiazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine

4-(1,3,4-thiadiazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114566656) has the molecular formula C7H4F3N5S2 and a molecular weight of 279.27 g/mol. Its IUPAC name is 4-(1,3,4-thiadiazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,3,4-thiadiazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114566656
Molecular FormulaC7H4F3N5S2
Molecular Weight279.27 g/mol
Exact Mass278.99
IUPAC Name4-(1,3,4-thiadiazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1nc(Sc2nncs2)cc(C(F)(F)F)n1
InChIInChI=1S/C7H4F3N5S2/c8-7(9,10)3-1-4(14-5(11)13-3)17-6-15-12-2-16-6/h1-2H,(H2,11,13,14)
InChIKeyWANMCWDFYDQBGM-UHFFFAOYSA-N
XLogP2.08
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 130656080
N-ethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774909
N-ethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102720155
4-(1H-1,2,4-triazol-5-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566720
4-(1H-imidazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 107785018
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928592
3-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 114566875
4-(2-methoxyethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566736
[2-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-4-yl]methanamine
CID 63883544
4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80893125
2-methoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-3-amine
CID 43262797
4-chloro-6-(trifluoromethyl)pyrimidin-2-amine
CID 13086907

Frequently Asked Questions

What is the IUPAC name of 4-(1,3,4-thiadiazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(1,3,4-thiadiazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 114566656) is 4-(1,3,4-thiadiazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1,3,4-thiadiazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1,3,4-thiadiazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine is Nc1nc(Sc2nncs2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(1,3,4-thiadiazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is WANMCWDFYDQBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N5S2/c8-7(9,10)3-1-4(14-5(11)13-3)17-6-15-12-2-16-6/h1-2H,(H2,11,13,14).
What are the key properties of 4-(1,3,4-thiadiazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(1,3,4-thiadiazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 279.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,4-thiadiazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114566656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).