N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)pyrrolidine-2-carboximidamide

C11H17N5O2S — CID 77059648

IUPACN'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)pyrrolidine-2-carboximidamide
SMILESCCCc1nnsc1C(=O)N1CCCC1C(N)=NO
InChIInChI=1S/C11H17N5O2S/c1-2-4-7-9(19-15-13-7)11(17)16-6-3-5-8(16)10(12)14-18/h8,18H,2-6H2,1H3,(H2,12,14)
InChIKeyHOPCGIBMRDHSAR-UHFFFAOYSA-N
MW283.36 g/mol
LogP0.84
Rot. Bonds4

About N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)pyrrolidine-2-carboximidamide

N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)pyrrolidine-2-carboximidamide (PubChem CID 77059648) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)pyrrolidine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)pyrrolidine-2-carboximidamide
PubChem CID77059648
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC NameN'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)pyrrolidine-2-carboximidamide
SMILESCCCc1nnsc1C(=O)N1CCCC1C(N)=NO
InChIInChI=1S/C11H17N5O2S/c1-2-4-7-9(19-15-13-7)11(17)16-6-3-5-8(16)10(12)14-18/h8,18H,2-6H2,1H3,(H2,12,14)
InChIKeyHOPCGIBMRDHSAR-UHFFFAOYSA-N
XLogP0.84
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.84
H-Bond Donors ≤ 52
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 N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)pyrrolidine-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)pyrrolidine-2-carboximidamide (CID 77059648) is N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)pyrrolidine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)pyrrolidine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)pyrrolidine-2-carboximidamide is CCCc1nnsc1C(=O)N1CCCC1C(N)=NO.
What is the InChIKey of N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)pyrrolidine-2-carboximidamide?
The InChIKey is HOPCGIBMRDHSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-2-4-7-9(19-15-13-7)11(17)16-6-3-5-8(16)10(12)14-18/h8,18H,2-6H2,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)pyrrolidine-2-carboximidamide?
N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)pyrrolidine-2-carboximidamide has a molecular weight of 283.36 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)pyrrolidine-2-carboximidamide is sourced from PubChem (CID 77059648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).