4-(piperidin-2-ylmethyl)-2-propyl-1,3-thiazole

C12H20N2S — CID 116888787

IUPAC4-(piperidin-2-ylmethyl)-2-propyl-1,3-thiazole
SMILESCCCc1nc(CC2CCCCN2)cs1
InChIInChI=1S/C12H20N2S/c1-2-5-12-14-11(9-15-12)8-10-6-3-4-7-13-10/h9-10,13H,2-8H2,1H3
InChIKeyNTYWALKPACHIEK-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.78
Rot. Bonds4

About 4-(piperidin-2-ylmethyl)-2-propyl-1,3-thiazole

4-(piperidin-2-ylmethyl)-2-propyl-1,3-thiazole (PubChem CID 116888787) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 4-(piperidin-2-ylmethyl)-2-propyl-1,3-thiazole.

Molecular Properties

Compound Name4-(piperidin-2-ylmethyl)-2-propyl-1,3-thiazole
PubChem CID116888787
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name4-(piperidin-2-ylmethyl)-2-propyl-1,3-thiazole
SMILESCCCc1nc(CC2CCCCN2)cs1
InChIInChI=1S/C12H20N2S/c1-2-5-12-14-11(9-15-12)8-10-6-3-4-7-13-10/h9-10,13H,2-8H2,1H3
InChIKeyNTYWALKPACHIEK-UHFFFAOYSA-N
XLogP2.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylpropyl)-2-(2-piperidin-2-ylethyl)-1,3-thiazole
CID 116968484
1-[2-(pyrrolidin-2-ylmethyl)-1,3-thiazol-4-yl]propan-2-one
CID 115088645
4-bromo-2-(piperidin-2-ylmethyl)-1,3-thiazole
CID 83693596
2-propyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853422
1-[2-(piperidin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 115088763
4-(piperidin-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole
CID 116888793
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119869571
4-cyclohexyl-2-propyl-1,3-thiazole
CID 130157916
4-phenyl-2-(2-piperidin-2-ylethyl)-1,3-thiazole
CID 79817603
(2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 50944167
N-methyl-1-piperidin-3-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]methanamine
CID 106636510
2-[(1-ethyltriazol-4-yl)methyl]piperidine
CID 115020003

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-2-ylmethyl)-2-propyl-1,3-thiazole?
The IUPAC name of 4-(piperidin-2-ylmethyl)-2-propyl-1,3-thiazole (CID 116888787) is 4-(piperidin-2-ylmethyl)-2-propyl-1,3-thiazole.
What is the SMILES notation for 4-(piperidin-2-ylmethyl)-2-propyl-1,3-thiazole?
The canonical SMILES for 4-(piperidin-2-ylmethyl)-2-propyl-1,3-thiazole is CCCc1nc(CC2CCCCN2)cs1.
What is the InChIKey of 4-(piperidin-2-ylmethyl)-2-propyl-1,3-thiazole?
The InChIKey is NTYWALKPACHIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-2-5-12-14-11(9-15-12)8-10-6-3-4-7-13-10/h9-10,13H,2-8H2,1H3.
What are the key properties of 4-(piperidin-2-ylmethyl)-2-propyl-1,3-thiazole?
4-(piperidin-2-ylmethyl)-2-propyl-1,3-thiazole has a molecular weight of 224.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-2-ylmethyl)-2-propyl-1,3-thiazole is sourced from PubChem (CID 116888787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).