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

C10H17N3OS — CID 104612108

IUPACN-ethyl-3-(1-methoxycyclopentyl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(C2(OC)CCCC2)ns1
InChIInChI=1S/C10H17N3OS/c1-3-11-9-12-8(13-15-9)10(14-2)6-4-5-7-10/h3-7H2,1-2H3,(H,11,12,13)
InChIKeyYNWRBLPNDUGDNM-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.39
Rot. Bonds4

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

N-ethyl-3-(1-methoxycyclopentyl)-1,2,4-thiadiazol-5-amine (PubChem CID 104612108) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-ethyl-3-(1-methoxycyclopentyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-3-(1-methoxycyclopentyl)-1,2,4-thiadiazol-5-amine
PubChem CID104612108
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-ethyl-3-(1-methoxycyclopentyl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(C2(OC)CCCC2)ns1
InChIInChI=1S/C10H17N3OS/c1-3-11-9-12-8(13-15-9)10(14-2)6-4-5-7-10/h3-7H2,1-2H3,(H,11,12,13)
InChIKeyYNWRBLPNDUGDNM-UHFFFAOYSA-N
XLogP2.39
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1-methoxycyclopentyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-ethyl-3-(1-methoxycyclopentyl)-1,2,4-thiadiazol-5-amine (CID 104612108) is N-ethyl-3-(1-methoxycyclopentyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-3-(1-methoxycyclopentyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-ethyl-3-(1-methoxycyclopentyl)-1,2,4-thiadiazol-5-amine is CCNc1nc(C2(OC)CCCC2)ns1.
What is the InChIKey of N-ethyl-3-(1-methoxycyclopentyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is YNWRBLPNDUGDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-11-9-12-8(13-15-9)10(14-2)6-4-5-7-10/h3-7H2,1-2H3,(H,11,12,13).
What are the key properties of N-ethyl-3-(1-methoxycyclopentyl)-1,2,4-thiadiazol-5-amine?
N-ethyl-3-(1-methoxycyclopentyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 227.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1-methoxycyclopentyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 104612108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).