3-(1-methoxycyclopentyl)-N-propyl-1,2,4-thiadiazol-5-amine

C11H19N3OS — CID 104612109

IUPAC3-(1-methoxycyclopentyl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(C2(OC)CCCC2)ns1
InChIInChI=1S/C11H19N3OS/c1-3-8-12-10-13-9(14-16-10)11(15-2)6-4-5-7-11/h3-8H2,1-2H3,(H,12,13,14)
InChIKeyIIRFQBUHXLMHGP-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.78
Rot. Bonds5

About 3-(1-methoxycyclopentyl)-N-propyl-1,2,4-thiadiazol-5-amine

3-(1-methoxycyclopentyl)-N-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 104612109) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-(1-methoxycyclopentyl)-N-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(1-methoxycyclopentyl)-N-propyl-1,2,4-thiadiazol-5-amine
PubChem CID104612109
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name3-(1-methoxycyclopentyl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(C2(OC)CCCC2)ns1
InChIInChI=1S/C11H19N3OS/c1-3-8-12-10-13-9(14-16-10)11(15-2)6-4-5-7-11/h3-8H2,1-2H3,(H,12,13,14)
InChIKeyIIRFQBUHXLMHGP-UHFFFAOYSA-N
XLogP2.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxycyclopentyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(1-methoxycyclopentyl)-N-propyl-1,2,4-thiadiazol-5-amine (CID 104612109) is 3-(1-methoxycyclopentyl)-N-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(1-methoxycyclopentyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(1-methoxycyclopentyl)-N-propyl-1,2,4-thiadiazol-5-amine is CCCNc1nc(C2(OC)CCCC2)ns1.
What is the InChIKey of 3-(1-methoxycyclopentyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is IIRFQBUHXLMHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-8-12-10-13-9(14-16-10)11(15-2)6-4-5-7-11/h3-8H2,1-2H3,(H,12,13,14).
What are the key properties of 3-(1-methoxycyclopentyl)-N-propyl-1,2,4-thiadiazol-5-amine?
3-(1-methoxycyclopentyl)-N-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 241.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxycyclopentyl)-N-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 104612109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).