5-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole

C14H24N2S — CID 58394949

IUPAC5-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole
SMILESCC(C)(C)C1(C)CCN(Cc2cncs2)CC1
InChIInChI=1S/C14H24N2S/c1-13(2,3)14(4)5-7-16(8-6-14)10-12-9-15-11-17-12/h9,11H,5-8,10H2,1-4H3
InChIKeySLMKXZQGQSWTJP-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.79
Rot. Bonds2

About 5-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole

5-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole (PubChem CID 58394949) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 5-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole
PubChem CID58394949
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name5-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole
SMILESCC(C)(C)C1(C)CCN(Cc2cncs2)CC1
InChIInChI=1S/C14H24N2S/c1-13(2,3)14(4)5-7-16(8-6-14)10-12-9-15-11-17-12/h9,11H,5-8,10H2,1-4H3
InChIKeySLMKXZQGQSWTJP-UHFFFAOYSA-N
XLogP3.79
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole 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 5-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole (CID 58394949) is 5-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole is CC(C)(C)C1(C)CCN(Cc2cncs2)CC1.
What is the InChIKey of 5-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole?
The InChIKey is SLMKXZQGQSWTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-13(2,3)14(4)5-7-16(8-6-14)10-12-9-15-11-17-12/h9,11H,5-8,10H2,1-4H3.
What are the key properties of 5-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole?
5-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole has a molecular weight of 252.43 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 58394949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).