N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide

C9H13N3OS — CID 849151

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide
SMILESCCc1nnc(NC(=O)C2CCC2)s1
InChIInChI=1S/C9H13N3OS/c1-2-7-11-12-9(14-7)10-8(13)6-4-3-5-6/h6H,2-5H2,1H3,(H,10,12,13)
InChIKeyFAGXBZPKPLLGSK-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.84
Rot. Bonds3

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide (PubChem CID 849151) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide
PubChem CID849151
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide
SMILESCCc1nnc(NC(=O)C2CCC2)s1
InChIInChI=1S/C9H13N3OS/c1-2-7-11-12-9(14-7)10-8(13)6-4-3-5-6/h6H,2-5H2,1H3,(H,10,12,13)
InChIKeyFAGXBZPKPLLGSK-UHFFFAOYSA-N
XLogP1.84
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide (CID 849151) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide is CCc1nnc(NC(=O)C2CCC2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide?
The InChIKey is FAGXBZPKPLLGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-2-7-11-12-9(14-7)10-8(13)6-4-3-5-6/h6H,2-5H2,1H3,(H,10,12,13).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide has a molecular weight of 211.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide is sourced from PubChem (CID 849151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).