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

C10H10F3N3S2 — CID 113431225

IUPACN-[(5-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCCc1ccc(CNc2nnc(C(F)(F)F)s2)s1
InChIInChI=1S/C10H10F3N3S2/c1-2-6-3-4-7(17-6)5-14-9-16-15-8(18-9)10(11,12)13/h3-4H,2,5H2,1H3,(H,14,16)
InChIKeyGODLPRMXHMFWDL-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.79
Rot. Bonds4

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

N-[(5-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 113431225) has the molecular formula C10H10F3N3S2 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID113431225
Molecular FormulaC10H10F3N3S2
Molecular Weight293.34 g/mol
Exact Mass293.03
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCCc1ccc(CNc2nnc(C(F)(F)F)s2)s1
InChIInChI=1S/C10H10F3N3S2/c1-2-6-3-4-7(17-6)5-14-9-16-15-8(18-9)10(11,12)13/h3-4H,2,5H2,1H3,(H,14,16)
InChIKeyGODLPRMXHMFWDL-UHFFFAOYSA-N
XLogP3.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
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-[(5-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 113431225) is N-[(5-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CCc1ccc(CNc2nnc(C(F)(F)F)s2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is GODLPRMXHMFWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3S2/c1-2-6-3-4-7(17-6)5-14-9-16-15-8(18-9)10(11,12)13/h3-4H,2,5H2,1H3,(H,14,16).
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[(5-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 293.34 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 113431225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).