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

C10H17N5OS — CID 46986528

IUPAC3-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCCC(CN)C2)n1
InChIInChI=1S/C10H17N5OS/c1-7-12-9(17-14-7)13-10(16)15-4-2-3-8(5-11)6-15/h8H,2-6,11H2,1H3,(H,12,13,14,16)
InChIKeyYZJDZCUUZDUXTK-UHFFFAOYSA-N
MW255.35 g/mol
LogP1.05
Rot. Bonds2

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

3-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 46986528) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
PubChem CID46986528
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name3-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCCC(CN)C2)n1
InChIInChI=1S/C10H17N5OS/c1-7-12-9(17-14-7)13-10(16)15-4-2-3-8(5-11)6-15/h8H,2-6,11H2,1H3,(H,12,13,14,16)
InChIKeyYZJDZCUUZDUXTK-UHFFFAOYSA-N
XLogP1.05
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylpiperidin-3-yl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 46990307
1-(1-Methylpiperidin-4-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 47000263
4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 50968784
4-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46984917
N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-azaspiro[2.5]octane-4-carboxamide
CID 46985954
3-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxamide
CID 75520974
(3S)-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxamide
CID 97823064
3-ethyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 164642026
4-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46990975
4,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46998569
3-ethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 126821660
2,2,2-Trifluoro-1-[4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]ethanone
CID 133429695

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (CID 46986528) is 3-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is Cc1nsc(NC(=O)N2CCCC(CN)C2)n1.
What is the InChIKey of 3-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is YZJDZCUUZDUXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-7-12-9(17-14-7)13-10(16)15-4-2-3-8(5-11)6-15/h8H,2-6,11H2,1H3,(H,12,13,14,16).
What are the key properties of 3-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
3-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 255.35 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 46986528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).