1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopentan-1-amine

C8H11F2N3S — CID 130563643

IUPAC1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopentan-1-amine
SMILESNC1(c2nnc(C(F)F)s2)CCCC1
InChIInChI=1S/C8H11F2N3S/c9-5(10)6-12-13-7(14-6)8(11)3-1-2-4-8/h5H,1-4,11H2
InChIKeyDEMOVXORXDZMAW-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.20
Rot. Bonds2

About 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopentan-1-amine

1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopentan-1-amine (PubChem CID 130563643) has the molecular formula C8H11F2N3S and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopentan-1-amine
PubChem CID130563643
Molecular FormulaC8H11F2N3S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopentan-1-amine
SMILESNC1(c2nnc(C(F)F)s2)CCCC1
InChIInChI=1S/C8H11F2N3S/c9-5(10)6-12-13-7(14-6)8(11)3-1-2-4-8/h5H,1-4,11H2
InChIKeyDEMOVXORXDZMAW-UHFFFAOYSA-N
XLogP2.20
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(Difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutan-1-amine
CID 130563645
[5-(2,2-Difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 130978888

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopentan-1-amine (CID 130563643) is 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopentan-1-amine is NC1(c2nnc(C(F)F)s2)CCCC1.
What is the InChIKey of 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopentan-1-amine?
The InChIKey is DEMOVXORXDZMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3S/c9-5(10)6-12-13-7(14-6)8(11)3-1-2-4-8/h5H,1-4,11H2.
What are the key properties of 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopentan-1-amine?
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopentan-1-amine has a molecular weight of 219.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopentan-1-amine is sourced from PubChem (CID 130563643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).