4-ethyl-N-[2-(methylamino)propyl]thiadiazole-5-carboxamide

C9H16N4OS — CID 120831305

IUPAC4-ethyl-N-[2-(methylamino)propyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCC(C)NC
InChIInChI=1S/C9H16N4OS/c1-4-7-8(15-13-12-7)9(14)11-5-6(2)10-3/h6,10H,4-5H2,1-3H3,(H,11,14)
InChIKeyWIEMRDIAUWQFJM-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.44
Rot. Bonds5

About 4-ethyl-N-[2-(methylamino)propyl]thiadiazole-5-carboxamide

4-ethyl-N-[2-(methylamino)propyl]thiadiazole-5-carboxamide (PubChem CID 120831305) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-ethyl-N-[2-(methylamino)propyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(methylamino)propyl]thiadiazole-5-carboxamide
PubChem CID120831305
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name4-ethyl-N-[2-(methylamino)propyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCC(C)NC
InChIInChI=1S/C9H16N4OS/c1-4-7-8(15-13-12-7)9(14)11-5-6(2)10-3/h6,10H,4-5H2,1-3H3,(H,11,14)
InChIKeyWIEMRDIAUWQFJM-UHFFFAOYSA-N
XLogP0.44
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-N-[2-(methylamino)propyl]thiadiazole-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

3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 65206183
4-ethyl-N-[2-(2-methylpropanoylamino)ethyl]thiadiazole-5-carboxamide
CID 24515338
N-(2-bromo-3-ethylpentyl)-4-ethylthiadiazole-5-carboxamide
CID 106288343
4-ethyl-N-[2-(methylamino)ethyl]thiadiazole-5-carboxamide
CID 65210280
N-(2-bromo-4,4-dimethylpentyl)-4-ethylthiadiazole-5-carboxamide
CID 107156459
2-[[(4-ethylthiadiazole-5-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107474145
4-ethyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
CID 65210223
N-[(2S)-1-aminopropan-2-yl]-4-ethylthiadiazole-5-carboxamide;hydrochloride
CID 120505502
N-(2-bromopropyl)-4-propylthiadiazole-5-carboxamide
CID 114308874
propan-2-yl 3-[(4-ethylthiadiazole-5-carbonyl)amino]propanoate
CID 51256575
5-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid
CID 113440692
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 94812061

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(methylamino)propyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[2-(methylamino)propyl]thiadiazole-5-carboxamide (CID 120831305) is 4-ethyl-N-[2-(methylamino)propyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[2-(methylamino)propyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[2-(methylamino)propyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCC(C)NC.
What is the InChIKey of 4-ethyl-N-[2-(methylamino)propyl]thiadiazole-5-carboxamide?
The InChIKey is WIEMRDIAUWQFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-4-7-8(15-13-12-7)9(14)11-5-6(2)10-3/h6,10H,4-5H2,1-3H3,(H,11,14).
What are the key properties of 4-ethyl-N-[2-(methylamino)propyl]thiadiazole-5-carboxamide?
4-ethyl-N-[2-(methylamino)propyl]thiadiazole-5-carboxamide has a molecular weight of 228.32 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(methylamino)propyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 120831305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).