N-cyclopentyl-3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine

C13H18F3N3S — CID 133429634

IUPACN-cyclopentyl-3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)CCN(c1nc(C2CC2)ns1)C1CCCC1
InChIInChI=1S/C13H18F3N3S/c14-13(15,16)7-8-19(10-3-1-2-4-10)12-17-11(18-20-12)9-5-6-9/h9-10H,1-8H2
InChIKeyIGOJSWFRSHNNGZ-UHFFFAOYSA-N
MW305.37 g/mol
LogP4.12
Rot. Bonds5

About N-cyclopentyl-3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine

N-cyclopentyl-3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 133429634) has the molecular formula C13H18F3N3S and a molecular weight of 305.37 g/mol. Its IUPAC name is N-cyclopentyl-3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
PubChem CID133429634
Molecular FormulaC13H18F3N3S
Molecular Weight305.37 g/mol
Exact Mass305.12
IUPAC NameN-cyclopentyl-3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)CCN(c1nc(C2CC2)ns1)C1CCCC1
InChIInChI=1S/C13H18F3N3S/c14-13(15,16)7-8-19(10-3-1-2-4-10)12-17-11(18-20-12)9-5-6-9/h9-10H,1-8H2
InChIKeyIGOJSWFRSHNNGZ-UHFFFAOYSA-N
XLogP4.12
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-cyclopentyl-3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine (CID 133429634) is N-cyclopentyl-3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-cyclopentyl-3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-cyclopentyl-3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)CCN(c1nc(C2CC2)ns1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is IGOJSWFRSHNNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3S/c14-13(15,16)7-8-19(10-3-1-2-4-10)12-17-11(18-20-12)9-5-6-9/h9-10H,1-8H2.
What are the key properties of N-cyclopentyl-3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine?
N-cyclopentyl-3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 305.37 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133429634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).