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

C12H21N3OS — CID 65277132

IUPAC3-tert-butyl-N-(2-methoxycyclopentyl)-1,2,4-thiadiazol-5-amine
SMILESCOC1CCCC1Nc1nc(C(C)(C)C)ns1
InChIInChI=1S/C12H21N3OS/c1-12(2,3)10-14-11(17-15-10)13-8-6-5-7-9(8)16-4/h8-9H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyKFAIRCBXUFSSQH-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.82
Rot. Bonds3

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

3-tert-butyl-N-(2-methoxycyclopentyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65277132) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 3-tert-butyl-N-(2-methoxycyclopentyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-(2-methoxycyclopentyl)-1,2,4-thiadiazol-5-amine
PubChem CID65277132
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name3-tert-butyl-N-(2-methoxycyclopentyl)-1,2,4-thiadiazol-5-amine
SMILESCOC1CCCC1Nc1nc(C(C)(C)C)ns1
InChIInChI=1S/C12H21N3OS/c1-12(2,3)10-14-11(17-15-10)13-8-6-5-7-9(8)16-4/h8-9H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyKFAIRCBXUFSSQH-UHFFFAOYSA-N
XLogP2.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-tert-butyl-N-(2-methoxycyclopentyl)-1,2,4-thiadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(2-methoxycyclopentyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-(2-methoxycyclopentyl)-1,2,4-thiadiazol-5-amine (CID 65277132) is 3-tert-butyl-N-(2-methoxycyclopentyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-(2-methoxycyclopentyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-(2-methoxycyclopentyl)-1,2,4-thiadiazol-5-amine is COC1CCCC1Nc1nc(C(C)(C)C)ns1.
What is the InChIKey of 3-tert-butyl-N-(2-methoxycyclopentyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is KFAIRCBXUFSSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-12(2,3)10-14-11(17-15-10)13-8-6-5-7-9(8)16-4/h8-9H,5-7H2,1-4H3,(H,13,14,15).
What are the key properties of 3-tert-butyl-N-(2-methoxycyclopentyl)-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-(2-methoxycyclopentyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 255.39 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(2-methoxycyclopentyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65277132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).