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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Related Compounds

5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
tert-butyl N-[5-[[(2R)-2-methoxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate
CID 174862620
N-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride
CID 71308050
1-[[2-(prop-2-enoylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylic acid
CID 175454306
N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
CID 86274331
N-[5-[(4-amino-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
CID 165475821
3-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propanoic acid
CID 82424788
3-[5-[(4-aminopiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,1-dicyclohexylurea
CID 87417769
N-[5-[[(2S,4R)-4-methoxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 165082552
2-(2-methoxyethoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745632
N-[5-[[3-[(6-methoxypyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135387
3-[5-[[4-(dimethylsulfamoyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-1-(4-methylcyclohexyl)-1-piperidin-4-ylurea
CID 86611206

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).