4-methyl-2-(2-methyl-3-piperidin-2-ylprop-1-enyl)-1,3-thiazole

C13H20N2S — CID 104855405

IUPAC4-methyl-2-(2-methyl-3-piperidin-2-ylprop-1-enyl)-1,3-thiazole
SMILESCC(=Cc1nc(C)cs1)CC1CCCCN1
InChIInChI=1S/C13H20N2S/c1-10(7-12-5-3-4-6-14-12)8-13-15-11(2)9-16-13/h8-9,12,14H,3-7H2,1-2H3
InChIKeyFTVGFYDQZWDCCP-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.39
Rot. Bonds3

About 4-methyl-2-(2-methyl-3-piperidin-2-ylprop-1-enyl)-1,3-thiazole

4-methyl-2-(2-methyl-3-piperidin-2-ylprop-1-enyl)-1,3-thiazole (PubChem CID 104855405) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 4-methyl-2-(2-methyl-3-piperidin-2-ylprop-1-enyl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(2-methyl-3-piperidin-2-ylprop-1-enyl)-1,3-thiazole
PubChem CID104855405
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name4-methyl-2-(2-methyl-3-piperidin-2-ylprop-1-enyl)-1,3-thiazole
SMILESCC(=Cc1nc(C)cs1)CC1CCCCN1
InChIInChI=1S/C13H20N2S/c1-10(7-12-5-3-4-6-14-12)8-13-15-11(2)9-16-13/h8-9,12,14H,3-7H2,1-2H3
InChIKeyFTVGFYDQZWDCCP-UHFFFAOYSA-N
XLogP3.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 63239882
N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]-2-pyrrolidin-2-ylacetamide
CID 119874175
4-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-thiazole;hydrochloride
CID 72716508
2-(3-cyclohexyl-2-methylprop-2-enyl)piperidine
CID 104855420
N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119887424
N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119759367
2-(2-methylpent-2-en-4-ynyl)piperidine
CID 104855401
1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119851715
2-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine
CID 104772220
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79540321
1-[2-(piperidin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 115088763
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914913

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methyl-3-piperidin-2-ylprop-1-enyl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-(2-methyl-3-piperidin-2-ylprop-1-enyl)-1,3-thiazole (CID 104855405) is 4-methyl-2-(2-methyl-3-piperidin-2-ylprop-1-enyl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(2-methyl-3-piperidin-2-ylprop-1-enyl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(2-methyl-3-piperidin-2-ylprop-1-enyl)-1,3-thiazole is CC(=Cc1nc(C)cs1)CC1CCCCN1.
What is the InChIKey of 4-methyl-2-(2-methyl-3-piperidin-2-ylprop-1-enyl)-1,3-thiazole?
The InChIKey is FTVGFYDQZWDCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-10(7-12-5-3-4-6-14-12)8-13-15-11(2)9-16-13/h8-9,12,14H,3-7H2,1-2H3.
What are the key properties of 4-methyl-2-(2-methyl-3-piperidin-2-ylprop-1-enyl)-1,3-thiazole?
4-methyl-2-(2-methyl-3-piperidin-2-ylprop-1-enyl)-1,3-thiazole has a molecular weight of 236.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methyl-3-piperidin-2-ylprop-1-enyl)-1,3-thiazole is sourced from PubChem (CID 104855405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).