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

C8H14N4OS — CID 65210280

IUPAC4-ethyl-N-[2-(methylamino)ethyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCCNC
InChIInChI=1S/C8H14N4OS/c1-3-6-7(14-12-11-6)8(13)10-5-4-9-2/h9H,3-5H2,1-2H3,(H,10,13)
InChIKeyLWCZQOFEZOMGTH-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.05
Rot. Bonds5

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

4-ethyl-N-[2-(methylamino)ethyl]thiadiazole-5-carboxamide (PubChem CID 65210280) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-ethyl-N-[2-(methylamino)ethyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(methylamino)ethyl]thiadiazole-5-carboxamide
PubChem CID65210280
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name4-ethyl-N-[2-(methylamino)ethyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCCNC
InChIInChI=1S/C8H14N4OS/c1-3-6-7(14-12-11-6)8(13)10-5-4-9-2/h9H,3-5H2,1-2H3,(H,10,13)
InChIKeyLWCZQOFEZOMGTH-UHFFFAOYSA-N
XLogP0.05
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.05
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-[3-(methylamino)propyl]thiadiazole-5-carboxamide
CID 65210223
4-ethyl-N-[2-(2-methylpropanoylamino)ethyl]thiadiazole-5-carboxamide
CID 24515338
4-ethyl-N-[2-(2-fluorophenyl)ethyl]thiadiazole-5-carboxamide
CID 34729675
4-ethyl-N-[2-(methylamino)propyl]thiadiazole-5-carboxamide
CID 120831305
4-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiadiazole-5-carboxamide
CID 103800680
propan-2-yl 3-[(4-ethylthiadiazole-5-carbonyl)amino]propanoate
CID 51256575
5-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid
CID 113440692
4-ethylthiadiazole-5-carboxamide
CID 45084470
4-ethyl-N-(4-phenylbutyl)thiadiazole-5-carboxamide
CID 24563625
3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 65206183
4-ethyl-N-(2-pyridin-3-ylethyl)thiadiazole-5-carboxamide
CID 30768888
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 9404499

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(methylamino)ethyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[2-(methylamino)ethyl]thiadiazole-5-carboxamide (CID 65210280) is 4-ethyl-N-[2-(methylamino)ethyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[2-(methylamino)ethyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[2-(methylamino)ethyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCCNC.
What is the InChIKey of 4-ethyl-N-[2-(methylamino)ethyl]thiadiazole-5-carboxamide?
The InChIKey is LWCZQOFEZOMGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-3-6-7(14-12-11-6)8(13)10-5-4-9-2/h9H,3-5H2,1-2H3,(H,10,13).
What are the key properties of 4-ethyl-N-[2-(methylamino)ethyl]thiadiazole-5-carboxamide?
4-ethyl-N-[2-(methylamino)ethyl]thiadiazole-5-carboxamide has a molecular weight of 214.29 g/mol, XLogP of 0.05, 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)ethyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 65210280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).