methyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate

C10H15N3O2S — CID 64914175

IUPACmethyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2nnc(C)s2)CC1
InChIInChI=1S/C10H15N3O2S/c1-7-11-12-10(16-7)13-5-3-8(4-6-13)9(14)15-2/h8H,3-6H2,1-2H3
InChIKeyBJBIJZWEVCGAGL-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.24
Rot. Bonds2

About methyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate

methyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate (PubChem CID 64914175) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is methyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
PubChem CID64914175
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Namemethyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2nnc(C)s2)CC1
InChIInChI=1S/C10H15N3O2S/c1-7-11-12-10(16-7)13-5-3-8(4-6-13)9(14)15-2/h8H,3-6H2,1-2H3
InChIKeyBJBIJZWEVCGAGL-UHFFFAOYSA-N
XLogP1.24
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
CID 146382334
1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
CID 65209414
ethyl 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carbonyl]amino]acetate
CID 133394837
methyl 1-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
CID 108773415
[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165434746
2-(4-bromopiperidin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 80674326
ethyl 1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
CID 133365960
ethyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylate
CID 65208891
methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylate
CID 65274693
(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 97009426
N-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide
CID 108780898
N,N-diethyl-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]propanamide
CID 75519593

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate (CID 64914175) is methyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate is COC(=O)C1CCN(c2nnc(C)s2)CC1.
What is the InChIKey of methyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate?
The InChIKey is BJBIJZWEVCGAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-7-11-12-10(16-7)13-5-3-8(4-6-13)9(14)15-2/h8H,3-6H2,1-2H3.
What are the key properties of methyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate?
methyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate has a molecular weight of 241.32 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 64914175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).