2-(2,2-dimethylpropyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole

C14H24N2S — CID 169075472

IUPAC2-(2,2-dimethylpropyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole
SMILESCC(C)(C)Cc1ncc(CN2CCCCC2)s1
InChIInChI=1S/C14H24N2S/c1-14(2,3)9-13-15-10-12(17-13)11-16-7-5-4-6-8-16/h10H,4-9,11H2,1-3H3
InChIKeyHKCLLKDWHLEGTL-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.72
Rot. Bonds3

About 2-(2,2-dimethylpropyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole

2-(2,2-dimethylpropyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole (PubChem CID 169075472) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole
PubChem CID169075472
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name2-(2,2-dimethylpropyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole
SMILESCC(C)(C)Cc1ncc(CN2CCCCC2)s1
InChIInChI=1S/C14H24N2S/c1-14(2,3)9-13-15-10-12(17-13)11-16-7-5-4-6-8-16/h10H,4-9,11H2,1-3H3
InChIKeyHKCLLKDWHLEGTL-UHFFFAOYSA-N
XLogP3.72
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-(2,2-dimethylpropyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole (CID 169075472) is 2-(2,2-dimethylpropyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-(2,2-dimethylpropyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole is CC(C)(C)Cc1ncc(CN2CCCCC2)s1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole?
The InChIKey is HKCLLKDWHLEGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-14(2,3)9-13-15-10-12(17-13)11-16-7-5-4-6-8-16/h10H,4-9,11H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole?
2-(2,2-dimethylpropyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole has a molecular weight of 252.43 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 169075472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).