3-ethyl-3-(hydroxymethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide

C12H20N4O2S — CID 46982148

IUPAC3-ethyl-3-(hydroxymethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
SMILESCCC1(CO)CCCN(C(=O)Nc2nnc(C)s2)C1
InChIInChI=1S/C12H20N4O2S/c1-3-12(8-17)5-4-6-16(7-12)11(18)13-10-15-14-9(2)19-10/h17H,3-8H2,1-2H3,(H,13,15,18)
InChIKeyJKIIBWHRXRRKKW-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.86
Rot. Bonds3

About 3-ethyl-3-(hydroxymethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide

3-ethyl-3-(hydroxymethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide (PubChem CID 46982148) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-ethyl-3-(hydroxymethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-3-(hydroxymethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
PubChem CID46982148
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name3-ethyl-3-(hydroxymethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
SMILESCCC1(CO)CCCN(C(=O)Nc2nnc(C)s2)C1
InChIInChI=1S/C12H20N4O2S/c1-3-12(8-17)5-4-6-16(7-12)11(18)13-10-15-14-9(2)19-10/h17H,3-8H2,1-2H3,(H,13,15,18)
InChIKeyJKIIBWHRXRRKKW-UHFFFAOYSA-N
XLogP1.86
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-3-(hydroxymethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide 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

3-ethyl-3-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 46993792
3-ethyl-3-(hydroxymethyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1-carboxamide
CID 146128739
4-(4-fluorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 47000207
4-methylsulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide
CID 47197934
3-methyl-1-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074778
3-[(carbamoylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 47263455
3-ethyl-3-(hydroxymethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1-carboxamide
CID 136533677
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxopiperazine-1-carboxamide
CID 46995562
(2R)-2-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide
CID 97336828
3-propyl-1-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 63138210
2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclobutyl]acetic acid
CID 81160973
ethyl 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 17066457

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(hydroxymethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 3-ethyl-3-(hydroxymethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide (CID 46982148) is 3-ethyl-3-(hydroxymethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-ethyl-3-(hydroxymethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-ethyl-3-(hydroxymethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide is CCC1(CO)CCCN(C(=O)Nc2nnc(C)s2)C1.
What is the InChIKey of 3-ethyl-3-(hydroxymethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is JKIIBWHRXRRKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-3-12(8-17)5-4-6-16(7-12)11(18)13-10-15-14-9(2)19-10/h17H,3-8H2,1-2H3,(H,13,15,18).
What are the key properties of 3-ethyl-3-(hydroxymethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
3-ethyl-3-(hydroxymethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(hydroxymethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 46982148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).