methyl N-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]carbamate

C11H17N3O2S — CID 822777

IUPACmethyl N-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1ncc(CN2CCCCC2)s1
InChIInChI=1S/C11H17N3O2S/c1-16-11(15)13-10-12-7-9(17-10)8-14-5-3-2-4-6-14/h7H,2-6,8H2,1H3,(H,12,13,15)
InChIKeyFBZQVIZBDJOLEH-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.31
Rot. Bonds3

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

methyl N-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 822777) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is methyl N-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]carbamate
PubChem CID822777
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Namemethyl N-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1ncc(CN2CCCCC2)s1
InChIInChI=1S/C11H17N3O2S/c1-16-11(15)13-10-12-7-9(17-10)8-14-5-3-2-4-6-14/h7H,2-6,8H2,1H3,(H,12,13,15)
InChIKeyFBZQVIZBDJOLEH-UHFFFAOYSA-N
XLogP2.31
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of methyl N-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]carbamate (CID 822777) is methyl N-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for methyl N-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]carbamate is COC(=O)Nc1ncc(CN2CCCCC2)s1.
What is the InChIKey of methyl N-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is FBZQVIZBDJOLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-16-11(15)13-10-12-7-9(17-10)8-14-5-3-2-4-6-14/h7H,2-6,8H2,1H3,(H,12,13,15).
What are the key properties of methyl N-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]carbamate?
methyl N-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 255.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 822777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).