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

C10H14F3N3S — CID 107413926

IUPACN-[(3-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC1CCC(CNc2nnc(C(F)(F)F)s2)C1
InChIInChI=1S/C10H14F3N3S/c1-6-2-3-7(4-6)5-14-9-16-15-8(17-9)10(11,12)13/h6-7H,2-5H2,1H3,(H,14,16)
InChIKeyCQKABEKUXHTDRN-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.40
Rot. Bonds3

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

N-[(3-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 107413926) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is N-[(3-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(3-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID107413926
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC NameN-[(3-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC1CCC(CNc2nnc(C(F)(F)F)s2)C1
InChIInChI=1S/C10H14F3N3S/c1-6-2-3-7(4-6)5-14-9-16-15-8(17-9)10(11,12)13/h6-7H,2-5H2,1H3,(H,14,16)
InChIKeyCQKABEKUXHTDRN-UHFFFAOYSA-N
XLogP3.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(3-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 107413926) is N-[(3-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(3-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(3-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CC1CCC(CNc2nnc(C(F)(F)F)s2)C1.
What is the InChIKey of N-[(3-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is CQKABEKUXHTDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S/c1-6-2-3-7(4-6)5-14-9-16-15-8(17-9)10(11,12)13/h6-7H,2-5H2,1H3,(H,14,16).
What are the key properties of N-[(3-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[(3-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 265.30 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107413926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).