N-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C9H8F3N3S2 — CID 114448115

IUPACN-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(Nc1nnc(C(F)(F)F)s1)c1cccs1
InChIInChI=1S/C9H8F3N3S2/c1-5(6-3-2-4-16-6)13-8-15-14-7(17-8)9(10,11)12/h2-5H,1H3,(H,13,15)
InChIKeyDIBICMNJEAZVGH-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.79
Rot. Bonds3

About N-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114448115) has the molecular formula C9H8F3N3S2 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114448115
Molecular FormulaC9H8F3N3S2
Molecular Weight279.31 g/mol
Exact Mass279.01
IUPAC NameN-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(Nc1nnc(C(F)(F)F)s1)c1cccs1
InChIInChI=1S/C9H8F3N3S2/c1-5(6-3-2-4-16-6)13-8-15-14-7(17-8)9(10,11)12/h2-5H,1H3,(H,13,15)
InChIKeyDIBICMNJEAZVGH-UHFFFAOYSA-N
XLogP3.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114448115) is N-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CC(Nc1nnc(C(F)(F)F)s1)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is DIBICMNJEAZVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3S2/c1-5(6-3-2-4-16-6)13-8-15-14-7(17-8)9(10,11)12/h2-5H,1H3,(H,13,15).
What are the key properties of N-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 279.31 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114448115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).