methyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-2-carboxylate

C12H18N2O2S — CID 115538282

IUPACmethyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1nc(C)c(C)s1
InChIInChI=1S/C12H18N2O2S/c1-8-9(2)17-12(13-8)14-7-5-4-6-10(14)11(15)16-3/h10H,4-7H2,1-3H3
InChIKeyIXXFLJWDTATUEA-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.29
Rot. Bonds2

About methyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-2-carboxylate

methyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-2-carboxylate (PubChem CID 115538282) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is methyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-2-carboxylate
PubChem CID115538282
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Namemethyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1nc(C)c(C)s1
InChIInChI=1S/C12H18N2O2S/c1-8-9(2)17-12(13-8)14-7-5-4-6-10(14)11(15)16-3/h10H,4-7H2,1-3H3
InChIKeyIXXFLJWDTATUEA-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-2-carboxylate
CID 115538300
[1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 65168510
methyl (2S)-1-(3,3-dimethylazirin-2-yl)piperidine-2-carboxylate
CID 15546272
[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-2-yl]methanamine
CID 65168676
methyl 1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-2-carboxylate
CID 115538357
methyl 2-(2-ethylpiperidin-1-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306720
ethyl 1-(1,3-benzothiazol-2-yl)piperidine-2-carboxylate
CID 18721820
methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-2-carboxylate
CID 115538265
methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylate
CID 115538367
1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 79371886
methyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylate
CID 115538567
methyl 1-(6-methoxypyrazin-2-yl)piperidine-2-carboxylate
CID 115538354

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-2-carboxylate (CID 115538282) is methyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-2-carboxylate is COC(=O)C1CCCCN1c1nc(C)c(C)s1.
What is the InChIKey of methyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-2-carboxylate?
The InChIKey is IXXFLJWDTATUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8-9(2)17-12(13-8)14-7-5-4-6-10(14)11(15)16-3/h10H,4-7H2,1-3H3.
What are the key properties of methyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-2-carboxylate?
methyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-2-carboxylate has a molecular weight of 254.35 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-2-carboxylate is sourced from PubChem (CID 115538282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).