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

C10H10F3N3S2 — CID 114448356

IUPACN-[1-(5-methylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(C(C)Nc2nnc(C(F)(F)F)s2)s1
InChIInChI=1S/C10H10F3N3S2/c1-5-3-4-7(17-5)6(2)14-9-16-15-8(18-9)10(11,12)13/h3-4,6H,1-2H3,(H,14,16)
InChIKeyDCTFLXODJLVOPF-UHFFFAOYSA-N
MW293.34 g/mol
LogP4.10
Rot. Bonds3

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

N-[1-(5-methylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114448356) has the molecular formula C10H10F3N3S2 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-[1-(5-methylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(5-methylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114448356
Molecular FormulaC10H10F3N3S2
Molecular Weight293.34 g/mol
Exact Mass293.03
IUPAC NameN-[1-(5-methylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(C(C)Nc2nnc(C(F)(F)F)s2)s1
InChIInChI=1S/C10H10F3N3S2/c1-5-3-4-7(17-5)6(2)14-9-16-15-8(18-9)10(11,12)13/h3-4,6H,1-2H3,(H,14,16)
InChIKeyDCTFLXODJLVOPF-UHFFFAOYSA-N
XLogP4.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114448356) is N-[1-(5-methylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[1-(5-methylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[1-(5-methylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is Cc1ccc(C(C)Nc2nnc(C(F)(F)F)s2)s1.
What is the InChIKey of N-[1-(5-methylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is DCTFLXODJLVOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3S2/c1-5-3-4-7(17-5)6(2)14-9-16-15-8(18-9)10(11,12)13/h3-4,6H,1-2H3,(H,14,16).
What are the key properties of N-[1-(5-methylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[1-(5-methylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 293.34 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114448356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).