methyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate

C12H18N2O2S — CID 78916486

IUPACmethyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N2CCCC(C)C2)nc1C
InChIInChI=1S/C12H18N2O2S/c1-8-5-4-6-14(7-8)12-13-9(2)10(17-12)11(15)16-3/h8H,4-7H2,1-3H3
InChIKeyMCVSFJATTUXQKU-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.47
Rot. Bonds2

About methyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate

methyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate (PubChem CID 78916486) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is methyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
PubChem CID78916486
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Namemethyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N2CCCC(C)C2)nc1C
InChIInChI=1S/C12H18N2O2S/c1-8-5-4-6-14(7-8)12-13-9(2)10(17-12)11(15)16-3/h8H,4-7H2,1-3H3
InChIKeyMCVSFJATTUXQKU-UHFFFAOYSA-N
XLogP2.47
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 60528785
methyl 2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 80570547
methyl 2-[3-(hydroxymethyl)piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569455
4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide
CID 82427919
methyl 2-(azocan-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 80570330
methyl 4-chloro-2-(3-methylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylate
CID 61224291
4-methyl-2-(4-methylazepan-1-yl)-1,3-thiazole-5-carboxylic acid
CID 63626853
4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62765777
methyl 4-amino-2-(3-ethoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 110277637
methyl 2-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate;dihydrochloride
CID 167828237
4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62764272
1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 79937420

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate (CID 78916486) is methyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N2CCCC(C)C2)nc1C.
What is the InChIKey of methyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is MCVSFJATTUXQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8-5-4-6-14(7-8)12-13-9(2)10(17-12)11(15)16-3/h8H,4-7H2,1-3H3.
What are the key properties of methyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 254.35 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 78916486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).