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

C9H8F3N5S2 — CID 106774909

IUPACN-ethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(Sc2nncs2)nc(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N5S2/c1-2-13-5-3-6(19-8-17-14-4-18-8)16-7(15-5)9(10,11)12/h3-4H,2H2,1H3,(H,13,15,16)
InChIKeyIFFGXKILUQYUTF-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.93
Rot. Bonds4

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

N-ethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774909) has the molecular formula C9H8F3N5S2 and a molecular weight of 307.33 g/mol. Its IUPAC name is N-ethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774909
Molecular FormulaC9H8F3N5S2
Molecular Weight307.33 g/mol
Exact Mass307.02
IUPAC NameN-ethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(Sc2nncs2)nc(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N5S2/c1-2-13-5-3-6(19-8-17-14-4-18-8)16-7(15-5)9(10,11)12/h3-4H,2H2,1H3,(H,13,15,16)
InChIKeyIFFGXKILUQYUTF-UHFFFAOYSA-N
XLogP2.93
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774909) is N-ethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine is CCNc1cc(Sc2nncs2)nc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is IFFGXKILUQYUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5S2/c1-2-13-5-3-6(19-8-17-14-4-18-8)16-7(15-5)9(10,11)12/h3-4H,2H2,1H3,(H,13,15,16).
What are the key properties of N-ethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
N-ethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 307.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).