methyl 2-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]acetate

C13H20N2O2S — CID 116886348

IUPACmethyl 2-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]acetate
SMILESCOC(=O)Cc1sc(C2CCN(C)CC2)nc1C
InChIInChI=1S/C13H20N2O2S/c1-9-11(8-12(16)17-3)18-13(14-9)10-4-6-15(2)7-5-10/h10H,4-8H2,1-3H3
InChIKeyKQPDUDAPUGHUKH-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.98
Rot. Bonds3

About methyl 2-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]acetate

methyl 2-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]acetate (PubChem CID 116886348) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is methyl 2-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]acetate
PubChem CID116886348
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Namemethyl 2-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]acetate
SMILESCOC(=O)Cc1sc(C2CCN(C)CC2)nc1C
InChIInChI=1S/C13H20N2O2S/c1-9-11(8-12(16)17-3)18-13(14-9)10-4-6-15(2)7-5-10/h10H,4-8H2,1-3H3
InChIKeyKQPDUDAPUGHUKH-UHFFFAOYSA-N
XLogP1.98
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 116884746
1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propan-2-one
CID 116886443
1-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 116884663
(2-cyclopropyl-4-methyl-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 110694309
3-methyl-3-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-amine
CID 116884905
methyl 2-[2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazol-4-yl]acetate
CID 80574702
methyl 2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]acetate
CID 116886343
3-methyl-2-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-ol
CID 116887238
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 110628856
2-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetic acid
CID 65331290
methyl 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carboxylate
CID 116966375
N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 62403369

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]acetate?
The IUPAC name of methyl 2-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]acetate (CID 116886348) is methyl 2-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]acetate.
What is the SMILES notation for methyl 2-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]acetate?
The canonical SMILES for methyl 2-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]acetate is COC(=O)Cc1sc(C2CCN(C)CC2)nc1C.
What is the InChIKey of methyl 2-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]acetate?
The InChIKey is KQPDUDAPUGHUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9-11(8-12(16)17-3)18-13(14-9)10-4-6-15(2)7-5-10/h10H,4-8H2,1-3H3.
What are the key properties of methyl 2-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]acetate?
methyl 2-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]acetate has a molecular weight of 268.38 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]acetate is sourced from PubChem (CID 116886348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).