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

C12H19N3O2S — CID 1258070

IUPACmethyl N-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1ncc(CN2CCC(C)CC2)s1
InChIInChI=1S/C12H19N3O2S/c1-9-3-5-15(6-4-9)8-10-7-13-11(18-10)14-12(16)17-2/h7,9H,3-6,8H2,1-2H3,(H,13,14,16)
InChIKeyLHRKTGLXIVXONJ-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.55
Rot. Bonds3

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

methyl N-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 1258070) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is methyl N-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamate
PubChem CID1258070
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Namemethyl N-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1ncc(CN2CCC(C)CC2)s1
InChIInChI=1S/C12H19N3O2S/c1-9-3-5-15(6-4-9)8-10-7-13-11(18-10)14-12(16)17-2/h7,9H,3-6,8H2,1-2H3,(H,13,14,16)
InChIKeyLHRKTGLXIVXONJ-UHFFFAOYSA-N
XLogP2.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of methyl N-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamate (CID 1258070) is methyl N-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for methyl N-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamate is COC(=O)Nc1ncc(CN2CCC(C)CC2)s1.
What is the InChIKey of methyl N-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is LHRKTGLXIVXONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-9-3-5-15(6-4-9)8-10-7-13-11(18-10)14-12(16)17-2/h7,9H,3-6,8H2,1-2H3,(H,13,14,16).
What are the key properties of methyl N-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamate?
methyl N-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 269.37 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 1258070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).