5-cyclopentylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine

C9H12F3N3S2 — CID 60620356

IUPAC5-cyclopentylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)CNc1nnc(SC2CCCC2)s1
InChIInChI=1S/C9H12F3N3S2/c10-9(11,12)5-13-7-14-15-8(17-7)16-6-3-1-2-4-6/h6H,1-5H2,(H,13,14)
InChIKeyMFVZVXAECUKYEZ-UHFFFAOYSA-N
MW283.34 g/mol
LogP3.55
Rot. Bonds4

About 5-cyclopentylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine

5-cyclopentylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 60620356) has the molecular formula C9H12F3N3S2 and a molecular weight of 283.34 g/mol. Its IUPAC name is 5-cyclopentylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopentylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
PubChem CID60620356
Molecular FormulaC9H12F3N3S2
Molecular Weight283.34 g/mol
Exact Mass283.04
IUPAC Name5-cyclopentylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)CNc1nnc(SC2CCCC2)s1
InChIInChI=1S/C9H12F3N3S2/c10-9(11,12)5-13-7-14-15-8(17-7)16-6-3-1-2-4-6/h6H,1-5H2,(H,13,14)
InChIKeyMFVZVXAECUKYEZ-UHFFFAOYSA-N
XLogP3.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-cyclopentylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine (CID 60620356) is 5-cyclopentylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-cyclopentylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-cyclopentylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine is FC(F)(F)CNc1nnc(SC2CCCC2)s1.
What is the InChIKey of 5-cyclopentylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is MFVZVXAECUKYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S2/c10-9(11,12)5-13-7-14-15-8(17-7)16-6-3-1-2-4-6/h6H,1-5H2,(H,13,14).
What are the key properties of 5-cyclopentylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine?
5-cyclopentylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 283.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 60620356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).