3-tert-butyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine

C15H28N4S — CID 106644173

IUPAC3-tert-butyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCN(CC1CCCNC1)c1nc(C(C)(C)C)ns1
InChIInChI=1S/C15H28N4S/c1-5-9-19(11-12-7-6-8-16-10-12)14-17-13(18-20-14)15(2,3)4/h12,16H,5-11H2,1-4H3
InChIKeyPIZRWYHGIJVHRQ-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.05
Rot. Bonds5

About 3-tert-butyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine

3-tert-butyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 106644173) has the molecular formula C15H28N4S and a molecular weight of 296.48 g/mol. Its IUPAC name is 3-tert-butyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
PubChem CID106644173
Molecular FormulaC15H28N4S
Molecular Weight296.48 g/mol
Exact Mass296.20
IUPAC Name3-tert-butyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCN(CC1CCCNC1)c1nc(C(C)(C)C)ns1
InChIInChI=1S/C15H28N4S/c1-5-9-19(11-12-7-6-8-16-10-12)14-17-13(18-20-14)15(2,3)4/h12,16H,5-11H2,1-4H3
InChIKeyPIZRWYHGIJVHRQ-UHFFFAOYSA-N
XLogP3.05
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-tert-butyl-N-(piperidin-3-ylmethyl)-N-propyl-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

Related Compounds

5,6-diethyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-triazin-3-amine
CID 106644080
N-(piperidin-4-ylmethyl)-N,3-dipropyl-1,2,4-thiadiazol-5-amine
CID 79720120
6-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 106644116
3-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 70148079
2-[piperidin-3-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile
CID 107552802
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106636894
N-(azetidin-3-yl)-3-tert-butyl-N-ethyl-1,2,4-thiadiazol-5-amine
CID 66184116
1-methyl-N-(piperidin-3-ylmethyl)-N-propylbenzimidazol-2-amine
CID 106643971
N-(piperidin-3-ylmethyl)-N-propylthieno[3,2-d]pyrimidin-4-amine
CID 106644228
N-(piperidin-3-ylmethyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 106644149
3-tert-butyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine
CID 65275948
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-cyclopentylamino]ethanol
CID 65275447

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine (CID 106644173) is 3-tert-butyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine is CCCN(CC1CCCNC1)c1nc(C(C)(C)C)ns1.
What is the InChIKey of 3-tert-butyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is PIZRWYHGIJVHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S/c1-5-9-19(11-12-7-6-8-16-10-12)14-17-13(18-20-14)15(2,3)4/h12,16H,5-11H2,1-4H3.
What are the key properties of 3-tert-butyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 296.48 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 106644173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).