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

C9H13F3N4S — CID 106126618

IUPACN-[(3-aminocyclopentyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESNC1CCC(CNc2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C9H13F3N4S/c10-9(11,12)7-15-8(17-16-7)14-4-5-1-2-6(13)3-5/h5-6H,1-4,13H2,(H,14,15,16)
InChIKeyKTQWZGZRDWQPKP-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.10
Rot. Bonds3

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

N-[(3-aminocyclopentyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 106126618) has the molecular formula C9H13F3N4S and a molecular weight of 266.29 g/mol. Its IUPAC name is N-[(3-aminocyclopentyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(3-aminocyclopentyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID106126618
Molecular FormulaC9H13F3N4S
Molecular Weight266.29 g/mol
Exact Mass266.08
IUPAC NameN-[(3-aminocyclopentyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESNC1CCC(CNc2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C9H13F3N4S/c10-9(11,12)7-15-8(17-16-7)14-4-5-1-2-6(13)3-5/h5-6H,1-4,13H2,(H,14,15,16)
InChIKeyKTQWZGZRDWQPKP-UHFFFAOYSA-N
XLogP2.10
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclopentyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(3-aminocyclopentyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 106126618) is N-[(3-aminocyclopentyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(3-aminocyclopentyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(3-aminocyclopentyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is NC1CCC(CNc2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of N-[(3-aminocyclopentyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is KTQWZGZRDWQPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4S/c10-9(11,12)7-15-8(17-16-7)14-4-5-1-2-6(13)3-5/h5-6H,1-4,13H2,(H,14,15,16).
What are the key properties of N-[(3-aminocyclopentyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-[(3-aminocyclopentyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 266.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclopentyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 106126618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).