ethyl N-[(4-ethylthiadiazole-5-carbonyl)amino]carbamate

C8H12N4O3S — CID 35800709

IUPACethyl N-[(4-ethylthiadiazole-5-carbonyl)amino]carbamate
SMILESCCOC(=O)NNC(=O)c1snnc1CC
InChIInChI=1S/C8H12N4O3S/c1-3-5-6(16-12-9-5)7(13)10-11-8(14)15-4-2/h3-4H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyHHGCEOSNBHIYLF-UHFFFAOYSA-N
MW244.28 g/mol
LogP0.49
Rot. Bonds3

About ethyl N-[(4-ethylthiadiazole-5-carbonyl)amino]carbamate

ethyl N-[(4-ethylthiadiazole-5-carbonyl)amino]carbamate (PubChem CID 35800709) has the molecular formula C8H12N4O3S and a molecular weight of 244.28 g/mol. Its IUPAC name is ethyl N-[(4-ethylthiadiazole-5-carbonyl)amino]carbamate.

Molecular Properties

Compound Nameethyl N-[(4-ethylthiadiazole-5-carbonyl)amino]carbamate
PubChem CID35800709
Molecular FormulaC8H12N4O3S
Molecular Weight244.28 g/mol
Exact Mass244.06
IUPAC Nameethyl N-[(4-ethylthiadiazole-5-carbonyl)amino]carbamate
SMILESCCOC(=O)NNC(=O)c1snnc1CC
InChIInChI=1S/C8H12N4O3S/c1-3-5-6(16-12-9-5)7(13)10-11-8(14)15-4-2/h3-4H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyHHGCEOSNBHIYLF-UHFFFAOYSA-N
XLogP0.49
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Propylthiadiazole-5-carbohydrazide
CID 65205659
N'-(cyclopropanecarbonyl)-4-ethylthiadiazole-5-carbohydrazide
CID 36706621
N-ethoxy-4-ethylthiadiazole-5-carboxamide
CID 43048038
4-Ethyl-1,2,3-thiadiazole-5-carbohydrazide
CID 60664936
4-Propan-2-ylthiadiazole-5-carbohydrazide
CID 65204705
4-Tert-butylthiadiazole-5-carbohydrazide
CID 65205609
[(4-Propan-2-ylthiadiazole-5-carbonyl)amino]urea
CID 65206384
[(4-Ethylthiadiazole-5-carbonyl)amino]urea
CID 65207691
[(4-Ethylthiadiazole-5-carbonyl)amino]thiourea
CID 65217028
4-ethyl-N-(2-methoxyethoxy)thiadiazole-5-carboxamide
CID 79676778
N-[(4-ethylthiadiazole-5-carbonyl)amino]formamide
CID 130605320

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(4-ethylthiadiazole-5-carbonyl)amino]carbamate?
The IUPAC name of ethyl N-[(4-ethylthiadiazole-5-carbonyl)amino]carbamate (CID 35800709) is ethyl N-[(4-ethylthiadiazole-5-carbonyl)amino]carbamate.
What is the SMILES notation for ethyl N-[(4-ethylthiadiazole-5-carbonyl)amino]carbamate?
The canonical SMILES for ethyl N-[(4-ethylthiadiazole-5-carbonyl)amino]carbamate is CCOC(=O)NNC(=O)c1snnc1CC.
What is the InChIKey of ethyl N-[(4-ethylthiadiazole-5-carbonyl)amino]carbamate?
The InChIKey is HHGCEOSNBHIYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3S/c1-3-5-6(16-12-9-5)7(13)10-11-8(14)15-4-2/h3-4H2,1-2H3,(H,10,13)(H,11,14).
What are the key properties of ethyl N-[(4-ethylthiadiazole-5-carbonyl)amino]carbamate?
ethyl N-[(4-ethylthiadiazole-5-carbonyl)amino]carbamate has a molecular weight of 244.28 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(4-ethylthiadiazole-5-carbonyl)amino]carbamate is sourced from PubChem (CID 35800709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).