methyl N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate

C12H19N3O2S — CID 110398213

IUPACmethyl N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1csc(N2CCCCC2)n1
InChIInChI=1S/C12H19N3O2S/c1-17-12(16)13-6-5-10-9-18-11(14-10)15-7-3-2-4-8-15/h9H,2-8H2,1H3,(H,13,16)
InChIKeyJVLLONPWCJLNLZ-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.03
Rot. Bonds4

About methyl N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate

methyl N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate (PubChem CID 110398213) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is methyl N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate
PubChem CID110398213
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Namemethyl N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1csc(N2CCCCC2)n1
InChIInChI=1S/C12H19N3O2S/c1-17-12(16)13-6-5-10-9-18-11(14-10)15-7-3-2-4-8-15/h9H,2-8H2,1H3,(H,13,16)
InChIKeyJVLLONPWCJLNLZ-UHFFFAOYSA-N
XLogP2.03
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110398156
N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclobutanecarboxamide
CID 110398101
3-(4-methoxyphenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110398093
(2S)-2-amino-3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide
CID 119888192
4-amino-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pentanamide
CID 120565652
3,4-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398045
1-(2-methoxyethyl)-2-methyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111825953
3-methyl-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398163
1-[(1-hydroxycyclopentyl)methyl]-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea
CID 111507108
4-bromo-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398036
N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]oxolane-2-carboxamide
CID 110398155
1,3,5-trimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 136526678

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate?
The IUPAC name of methyl N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate (CID 110398213) is methyl N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate is COC(=O)NCCc1csc(N2CCCCC2)n1.
What is the InChIKey of methyl N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate?
The InChIKey is JVLLONPWCJLNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-17-12(16)13-6-5-10-9-18-11(14-10)15-7-3-2-4-8-15/h9H,2-8H2,1H3,(H,13,16).
What are the key properties of methyl N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate?
methyl N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate has a molecular weight of 269.37 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate is sourced from PubChem (CID 110398213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).