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

C9H13F3N4S — CID 106127093

IUPACN-[(3-aminocyclopentyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESNC1CCC(CNc2nnc(C(F)(F)F)s2)C1
InChIInChI=1S/C9H13F3N4S/c10-9(11,12)7-15-16-8(17-7)14-4-5-1-2-6(13)3-5/h5-6H,1-4,13H2,(H,14,16)
InChIKeyADLHMJIMJRMMFD-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.10
Rot. Bonds3

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

N-[(3-aminocyclopentyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 106127093) has the molecular formula C9H13F3N4S and a molecular weight of 266.29 g/mol. Its IUPAC name is N-[(3-aminocyclopentyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(3-aminocyclopentyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID106127093
Molecular FormulaC9H13F3N4S
Molecular Weight266.29 g/mol
Exact Mass266.08
IUPAC NameN-[(3-aminocyclopentyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESNC1CCC(CNc2nnc(C(F)(F)F)s2)C1
InChIInChI=1S/C9H13F3N4S/c10-9(11,12)7-15-16-8(17-7)14-4-5-1-2-6(13)3-5/h5-6H,1-4,13H2,(H,14,16)
InChIKeyADLHMJIMJRMMFD-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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Related Compounds

N-[(4-aminocyclohexyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 59229897
N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,5-diamine
CID 59230097
N-(3-methylpentyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 89630345
N-(3-methyl-2-propan-2-ylbutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 102914147
5-methyl-N-(6,6,6-trifluorohexan-2-yl)-1,3,4-thiadiazol-2-amine
CID 103580488
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
CID 103731084
N-(3-cyclopentylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104923827
N-(2-propylcyclopropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104924585
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104973071
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104973473
N-[(1-methylsulfanylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 105824244
N-[(3-chlorocyclopentyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 106123989

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclopentyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(3-aminocyclopentyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 106127093) is N-[(3-aminocyclopentyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(3-aminocyclopentyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(3-aminocyclopentyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is NC1CCC(CNc2nnc(C(F)(F)F)s2)C1.
What is the InChIKey of N-[(3-aminocyclopentyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is ADLHMJIMJRMMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4S/c10-9(11,12)7-15-16-8(17-7)14-4-5-1-2-6(13)3-5/h5-6H,1-4,13H2,(H,14,16).
What are the key properties of N-[(3-aminocyclopentyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[(3-aminocyclopentyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-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]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106127093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).