N-ethyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine

C8H7F3N4S2 — CID 106784348

IUPACN-ethyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2cnc(C(F)(F)F)s2)s1
InChIInChI=1S/C8H7F3N4S2/c1-2-12-7-15-14-5(17-7)4-3-13-6(16-4)8(9,10)11/h3H,2H2,1H3,(H,12,15)
InChIKeyMVEDAUVMWNSXGQ-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.11
Rot. Bonds3

About N-ethyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine

N-ethyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 106784348) has the molecular formula C8H7F3N4S2 and a molecular weight of 280.30 g/mol. Its IUPAC name is N-ethyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
PubChem CID106784348
Molecular FormulaC8H7F3N4S2
Molecular Weight280.30 g/mol
Exact Mass280.01
IUPAC NameN-ethyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2cnc(C(F)(F)F)s2)s1
InChIInChI=1S/C8H7F3N4S2/c1-2-12-7-15-14-5(17-7)4-3-13-6(16-4)8(9,10)11/h3H,2H2,1H3,(H,12,15)
InChIKeyMVEDAUVMWNSXGQ-UHFFFAOYSA-N
XLogP3.11
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine (CID 106784348) is N-ethyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine is CCNc1nnc(-c2cnc(C(F)(F)F)s2)s1.
What is the InChIKey of N-ethyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is MVEDAUVMWNSXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4S2/c1-2-12-7-15-14-5(17-7)4-3-13-6(16-4)8(9,10)11/h3H,2H2,1H3,(H,12,15).
What are the key properties of N-ethyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
N-ethyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 280.30 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106784348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).