2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide

C8H13N3OS — CID 106922932

IUPAC2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide
SMILES[H]/N=C(\N)C(CC)Sc1nc(C)co1
InChIInChI=1S/C8H13N3OS/c1-3-6(7(9)10)13-8-11-5(2)4-12-8/h4,6H,3H2,1-2H3,(H3,9,10)
InChIKeyXLNGNKMXSIAEOI-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.79
Rot. Bonds4

About 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide

2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide (PubChem CID 106922932) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide.

Molecular Properties

Compound Name2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide
PubChem CID106922932
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide
SMILES[H]/N=C(\N)C(CC)Sc1nc(C)co1
InChIInChI=1S/C8H13N3OS/c1-3-6(7(9)10)13-8-11-5(2)4-12-8/h4,6H,3H2,1-2H3,(H3,9,10)
InChIKeyXLNGNKMXSIAEOI-UHFFFAOYSA-N
XLogP1.79
TPSA75.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide
CID 106922920
1,1,1-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentan-3-amine
CID 106922139
2-(1H-imidazol-2-ylsulfanyl)butanimidamide
CID 107780455
N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
CID 106927737
1-(4-fluorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
CID 106922037
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidine-4-carboximidamide
CID 107551920
2-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]butanimidamide
CID 107786081
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylethanamine
CID 106922000
3,3-dimethyl-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
CID 106927786
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carboximidamide
CID 106922823
1-(2-bromophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
CID 106922077
2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106925190

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide?
The IUPAC name of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide (CID 106922932) is 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide.
What is the SMILES notation for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide?
The canonical SMILES for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide is [H]/N=C(\N)C(CC)Sc1nc(C)co1.
What is the InChIKey of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide?
The InChIKey is XLNGNKMXSIAEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-3-6(7(9)10)13-8-11-5(2)4-12-8/h4,6H,3H2,1-2H3,(H3,9,10).
What are the key properties of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide?
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide has a molecular weight of 199.28 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide is sourced from PubChem (CID 106922932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).