methyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate

C11H15ClN2O2S — CID 2764403

IUPACmethyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2cnc(Cl)s2)CC1
InChIInChI=1S/C11H15ClN2O2S/c1-16-10(15)8-2-4-14(5-3-8)7-9-6-13-11(12)17-9/h6,8H,2-5,7H2,1H3
InChIKeyCZFIQNFGUCDBED-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.18
Rot. Bonds3

About methyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate

methyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate (PubChem CID 2764403) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is methyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate
PubChem CID2764403
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Namemethyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2cnc(Cl)s2)CC1
InChIInChI=1S/C11H15ClN2O2S/c1-16-10(15)8-2-4-14(5-3-8)7-9-6-13-11(12)17-9/h6,8H,2-5,7H2,1H3
InChIKeyCZFIQNFGUCDBED-UHFFFAOYSA-N
XLogP2.18
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate (CID 2764403) is methyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate is COC(=O)C1CCN(Cc2cnc(Cl)s2)CC1.
What is the InChIKey of methyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate?
The InChIKey is CZFIQNFGUCDBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-16-10(15)8-2-4-14(5-3-8)7-9-6-13-11(12)17-9/h6,8H,2-5,7H2,1H3.
What are the key properties of methyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate?
methyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate has a molecular weight of 274.77 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 2764403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).