4-ethyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide

C9H16N4OS — CID 65210223

IUPAC4-ethyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCCCNC
InChIInChI=1S/C9H16N4OS/c1-3-7-8(15-13-12-7)9(14)11-6-4-5-10-2/h10H,3-6H2,1-2H3,(H,11,14)
InChIKeyRRRVENWXEYHBGJ-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.44
Rot. Bonds6

About 4-ethyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide

4-ethyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide (PubChem CID 65210223) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-ethyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
PubChem CID65210223
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name4-ethyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCCCNC
InChIInChI=1S/C9H16N4OS/c1-3-7-8(15-13-12-7)9(14)11-6-4-5-10-2/h10H,3-6H2,1-2H3,(H,11,14)
InChIKeyRRRVENWXEYHBGJ-UHFFFAOYSA-N
XLogP0.44
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-[2-(methylamino)ethyl]thiadiazole-5-carboxamide
CID 65210280
4-methyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
CID 43600601
5-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid
CID 113440692
4-ethyl-N-[2-(2-methylpropanoylamino)ethyl]thiadiazole-5-carboxamide
CID 24515338
4-ethyl-N-(4-phenylbutyl)thiadiazole-5-carboxamide
CID 24563625
N-[3-(methylamino)propyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204488
4-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiadiazole-5-carboxamide
CID 103800680
4-ethyl-N-[2-(2-fluorophenyl)ethyl]thiadiazole-5-carboxamide
CID 34729675
4-ethyl-N-[2-(methylamino)propyl]thiadiazole-5-carboxamide
CID 120831305
N-(6-hydroxyhexyl)-4-propylthiadiazole-5-carboxamide
CID 107843629
N-[3-(cyclopropylamino)propyl]-4-propylthiadiazole-5-carboxamide
CID 65210069
propan-2-yl 3-[(4-ethylthiadiazole-5-carbonyl)amino]propanoate
CID 51256575

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide (CID 65210223) is 4-ethyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCCCNC.
What is the InChIKey of 4-ethyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide?
The InChIKey is RRRVENWXEYHBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-3-7-8(15-13-12-7)9(14)11-6-4-5-10-2/h10H,3-6H2,1-2H3,(H,11,14).
What are the key properties of 4-ethyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide?
4-ethyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide has a molecular weight of 228.32 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 65210223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).