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

C11H17N3O2S — CID 79772376

IUPACmethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2cnc(N)s2)CC1
InChIInChI=1S/C11H17N3O2S/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,(H2,12,13)
InChIKeyASSGUHDRYKSFTH-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.11
Rot. Bonds3

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

methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate (PubChem CID 79772376) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate
PubChem CID79772376
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Namemethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2cnc(N)s2)CC1
InChIInChI=1S/C11H17N3O2S/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,(H2,12,13)
InChIKeyASSGUHDRYKSFTH-UHFFFAOYSA-N
XLogP1.11
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate (CID 79772376) is methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate is COC(=O)C1CCN(Cc2cnc(N)s2)CC1.
What is the InChIKey of methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate?
The InChIKey is ASSGUHDRYKSFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/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,(H2,12,13).
What are the key properties of methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate?
methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate has a molecular weight of 255.34 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 79772376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).