4-ethyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]thiadiazole-5-carboxamide

C11H17N5O2S — CID 77059715

IUPAC4-ethyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC1(C(N)=NO)CCCC1
InChIInChI=1S/C11H17N5O2S/c1-2-7-8(19-16-14-7)9(17)13-11(10(12)15-18)5-3-4-6-11/h18H,2-6H2,1H3,(H2,12,15)(H,13,17)
InChIKeyHXPGTMDMZDPSKK-UHFFFAOYSA-N
MW283.36 g/mol
LogP0.89
Rot. Bonds4

About 4-ethyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]thiadiazole-5-carboxamide

4-ethyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]thiadiazole-5-carboxamide (PubChem CID 77059715) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 4-ethyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]thiadiazole-5-carboxamide
PubChem CID77059715
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name4-ethyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC1(C(N)=NO)CCCC1
InChIInChI=1S/C11H17N5O2S/c1-2-7-8(19-16-14-7)9(17)13-11(10(12)15-18)5-3-4-6-11/h18H,2-6H2,1H3,(H2,12,15)(H,13,17)
InChIKeyHXPGTMDMZDPSKK-UHFFFAOYSA-N
XLogP0.89
TPSA113.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]thiadiazole-5-carboxamide (CID 77059715) is 4-ethyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NC1(C(N)=NO)CCCC1.
What is the InChIKey of 4-ethyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]thiadiazole-5-carboxamide?
The InChIKey is HXPGTMDMZDPSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-2-7-8(19-16-14-7)9(17)13-11(10(12)15-18)5-3-4-6-11/h18H,2-6H2,1H3,(H2,12,15)(H,13,17).
What are the key properties of 4-ethyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]thiadiazole-5-carboxamide?
4-ethyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]thiadiazole-5-carboxamide has a molecular weight of 283.36 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 77059715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).