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

C17H21N3O2S — CID 10471907

IUPACpiperidin-4-ylmethyl N-[2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamate
SMILESCc1cnc(-c2ccccc2NC(=O)OCC2CCNCC2)s1
InChIInChI=1S/C17H21N3O2S/c1-12-10-19-16(23-12)14-4-2-3-5-15(14)20-17(21)22-11-13-6-8-18-9-7-13/h2-5,10,13,18H,6-9,11H2,1H3,(H,20,21)
InChIKeyLGILYEKEGZHZFU-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.67
Rot. Bonds4

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

piperidin-4-ylmethyl N-[2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamate (PubChem CID 10471907) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is piperidin-4-ylmethyl N-[2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Namepiperidin-4-ylmethyl N-[2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamate
PubChem CID10471907
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Namepiperidin-4-ylmethyl N-[2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamate
SMILESCc1cnc(-c2ccccc2NC(=O)OCC2CCNCC2)s1
InChIInChI=1S/C17H21N3O2S/c1-12-10-19-16(23-12)14-4-2-3-5-15(14)20-17(21)22-11-13-6-8-18-9-7-13/h2-5,10,13,18H,6-9,11H2,1H3,(H,20,21)
InChIKeyLGILYEKEGZHZFU-UHFFFAOYSA-N
XLogP3.67
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-ylmethyl N-[2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamate?
The IUPAC name of piperidin-4-ylmethyl N-[2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamate (CID 10471907) is piperidin-4-ylmethyl N-[2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamate.
What is the SMILES notation for piperidin-4-ylmethyl N-[2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamate?
The canonical SMILES for piperidin-4-ylmethyl N-[2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamate is Cc1cnc(-c2ccccc2NC(=O)OCC2CCNCC2)s1.
What is the InChIKey of piperidin-4-ylmethyl N-[2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamate?
The InChIKey is LGILYEKEGZHZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12-10-19-16(23-12)14-4-2-3-5-15(14)20-17(21)22-11-13-6-8-18-9-7-13/h2-5,10,13,18H,6-9,11H2,1H3,(H,20,21).
What are the key properties of piperidin-4-ylmethyl N-[2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamate?
piperidin-4-ylmethyl N-[2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamate has a molecular weight of 331.44 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-ylmethyl N-[2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamate is sourced from PubChem (CID 10471907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).