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

C9H12F3N3S — CID 114448228

IUPACN-(cyclopentylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(NCC2CCCC2)s1
InChIInChI=1S/C9H12F3N3S/c10-9(11,12)7-14-15-8(16-7)13-5-6-3-1-2-4-6/h6H,1-5H2,(H,13,15)
InChIKeyBLJYYTNYSBBSNY-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.16
Rot. Bonds3

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

N-(cyclopentylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114448228) has the molecular formula C9H12F3N3S and a molecular weight of 251.28 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114448228
Molecular FormulaC9H12F3N3S
Molecular Weight251.28 g/mol
Exact Mass251.07
IUPAC NameN-(cyclopentylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(NCC2CCCC2)s1
InChIInChI=1S/C9H12F3N3S/c10-9(11,12)7-14-15-8(16-7)13-5-6-3-1-2-4-6/h6H,1-5H2,(H,13,15)
InChIKeyBLJYYTNYSBBSNY-UHFFFAOYSA-N
XLogP3.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(cyclopentylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114448228) is N-(cyclopentylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(cyclopentylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is FC(F)(F)c1nnc(NCC2CCCC2)s1.
What is the InChIKey of N-(cyclopentylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is BLJYYTNYSBBSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S/c10-9(11,12)7-14-15-8(16-7)13-5-6-3-1-2-4-6/h6H,1-5H2,(H,13,15).
What are the key properties of N-(cyclopentylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(cyclopentylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 251.28 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114448228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).