2-methyl-N'-[(1S)-1-(4-methylthiadiazol-5-yl)ethoxy]propanimidamide

C9H16N4OS — CID 164642518

IUPAC2-methyl-N'-[(1S)-1-(4-methylthiadiazol-5-yl)ethoxy]propanimidamide
SMILESCc1nnsc1[C@H](C)ON=C(N)C(C)C
InChIInChI=1S/C9H16N4OS/c1-5(2)9(10)12-14-7(4)8-6(3)11-13-15-8/h5,7H,1-4H3,(H2,10,12)/t7-/m0/s1
InChIKeyQBXLXZJKOXIIEJ-ZETCQYMHSA-N
MW228.32 g/mol
LogP1.85
Rot. Bonds4

About 2-methyl-N'-[(1S)-1-(4-methylthiadiazol-5-yl)ethoxy]propanimidamide

2-methyl-N'-[(1S)-1-(4-methylthiadiazol-5-yl)ethoxy]propanimidamide (PubChem CID 164642518) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-methyl-N'-[(1S)-1-(4-methylthiadiazol-5-yl)ethoxy]propanimidamide.

Molecular Properties

Compound Name2-methyl-N'-[(1S)-1-(4-methylthiadiazol-5-yl)ethoxy]propanimidamide
PubChem CID164642518
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name2-methyl-N'-[(1S)-1-(4-methylthiadiazol-5-yl)ethoxy]propanimidamide
SMILESCc1nnsc1[C@H](C)ON=C(N)C(C)C
InChIInChI=1S/C9H16N4OS/c1-5(2)9(10)12-14-7(4)8-6(3)11-13-15-8/h5,7H,1-4H3,(H2,10,12)/t7-/m0/s1
InChIKeyQBXLXZJKOXIIEJ-ZETCQYMHSA-N
XLogP1.85
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 2-methyl-N'-[(1S)-1-(4-methylthiadiazol-5-yl)ethoxy]propanimidamide?
The IUPAC name of 2-methyl-N'-[(1S)-1-(4-methylthiadiazol-5-yl)ethoxy]propanimidamide (CID 164642518) is 2-methyl-N'-[(1S)-1-(4-methylthiadiazol-5-yl)ethoxy]propanimidamide.
What is the SMILES notation for 2-methyl-N'-[(1S)-1-(4-methylthiadiazol-5-yl)ethoxy]propanimidamide?
The canonical SMILES for 2-methyl-N'-[(1S)-1-(4-methylthiadiazol-5-yl)ethoxy]propanimidamide is Cc1nnsc1[C@H](C)ON=C(N)C(C)C.
What is the InChIKey of 2-methyl-N'-[(1S)-1-(4-methylthiadiazol-5-yl)ethoxy]propanimidamide?
The InChIKey is QBXLXZJKOXIIEJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-5(2)9(10)12-14-7(4)8-6(3)11-13-15-8/h5,7H,1-4H3,(H2,10,12)/t7-/m0/s1.
What are the key properties of 2-methyl-N'-[(1S)-1-(4-methylthiadiazol-5-yl)ethoxy]propanimidamide?
2-methyl-N'-[(1S)-1-(4-methylthiadiazol-5-yl)ethoxy]propanimidamide has a molecular weight of 228.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[(1S)-1-(4-methylthiadiazol-5-yl)ethoxy]propanimidamide is sourced from PubChem (CID 164642518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).