N-[3-(aminomethyl)pentan-3-yl]-4-methylthiadiazole-5-carboxamide

C10H18N4OS — CID 63888965

IUPACN-[3-(aminomethyl)pentan-3-yl]-4-methylthiadiazole-5-carboxamide
SMILESCCC(CC)(CN)NC(=O)c1snnc1C
InChIInChI=1S/C10H18N4OS/c1-4-10(5-2,6-11)12-9(15)8-7(3)13-14-16-8/h4-6,11H2,1-3H3,(H,12,15)
InChIKeyJMIIFZPKGUBFCG-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.09
Rot. Bonds5

About N-[3-(aminomethyl)pentan-3-yl]-4-methylthiadiazole-5-carboxamide

N-[3-(aminomethyl)pentan-3-yl]-4-methylthiadiazole-5-carboxamide (PubChem CID 63888965) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-4-methylthiadiazole-5-carboxamide
PubChem CID63888965
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-4-methylthiadiazole-5-carboxamide
SMILESCCC(CC)(CN)NC(=O)c1snnc1C
InChIInChI=1S/C10H18N4OS/c1-4-10(5-2,6-11)12-9(15)8-7(3)13-14-16-8/h4-6,11H2,1-3H3,(H,12,15)
InChIKeyJMIIFZPKGUBFCG-UHFFFAOYSA-N
XLogP1.09
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(aminomethyl)pentan-3-yl]-4-methylthiadiazole-5-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

N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 115310439
N-ethyl-4-methylthiadiazole-5-carboxamide
CID 60660728
4-tert-butyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]thiadiazole-5-carboxamide
CID 107866649
N-(1-aminobutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 65193405
N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methylthiadiazole-5-carboxamide
CID 102999194
N-[3-(aminomethyl)pentan-3-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 119569191
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-tert-butylthiadiazole-5-carboxamide
CID 107868164
N-[3-(aminomethyl)pentan-3-yl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119568953
N-[3-(bromomethyl)pentan-3-yl]-4-propylthiadiazole-5-carboxamide
CID 114315365
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 107868025
N-[3-(aminomethyl)pentan-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 65198957
3-(aminomethyl)pentan-3-ylurea
CID 63766558

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-methylthiadiazole-5-carboxamide (CID 63888965) is N-[3-(aminomethyl)pentan-3-yl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-4-methylthiadiazole-5-carboxamide is CCC(CC)(CN)NC(=O)c1snnc1C.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is JMIIFZPKGUBFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-4-10(5-2,6-11)12-9(15)8-7(3)13-14-16-8/h4-6,11H2,1-3H3,(H,12,15).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-4-methylthiadiazole-5-carboxamide?
N-[3-(aminomethyl)pentan-3-yl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 242.35 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 63888965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).