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

C13H22N2S — CID 170239529

IUPAC2-(2-methylpropyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole
SMILESCC(C)Cc1ncc(CN2CCCCC2)s1
InChIInChI=1S/C13H22N2S/c1-11(2)8-13-14-9-12(16-13)10-15-6-4-3-5-7-15/h9,11H,3-8,10H2,1-2H3
InChIKeyPSBUHDMMDVHLPB-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.33
Rot. Bonds4

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

2-(2-methylpropyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole (PubChem CID 170239529) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-(2-methylpropyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methylpropyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole
PubChem CID170239529
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name2-(2-methylpropyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole
SMILESCC(C)Cc1ncc(CN2CCCCC2)s1
InChIInChI=1S/C13H22N2S/c1-11(2)8-13-14-9-12(16-13)10-15-6-4-3-5-7-15/h9,11H,3-8,10H2,1-2H3
InChIKeyPSBUHDMMDVHLPB-UHFFFAOYSA-N
XLogP3.33
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-(2-methylpropyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole (CID 170239529) is 2-(2-methylpropyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-(2-methylpropyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-(2-methylpropyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole is CC(C)Cc1ncc(CN2CCCCC2)s1.
What is the InChIKey of 2-(2-methylpropyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole?
The InChIKey is PSBUHDMMDVHLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-11(2)8-13-14-9-12(16-13)10-15-6-4-3-5-7-15/h9,11H,3-8,10H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole?
2-(2-methylpropyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole has a molecular weight of 238.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 170239529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).