2-(1H-imidazol-2-ylsulfanyl)butanimidamide

C7H12N4S — CID 107780455

IUPAC2-(1H-imidazol-2-ylsulfanyl)butanimidamide
SMILES[H]/N=C(\N)C(CC)Sc1ncc[nH]1
InChIInChI=1S/C7H12N4S/c1-2-5(6(8)9)12-7-10-3-4-11-7/h3-5H,2H2,1H3,(H3,8,9)(H,10,11)
InChIKeyLHIRNZWKJXEUND-UHFFFAOYSA-N
MW184.27 g/mol
LogP1.22
Rot. Bonds4

About 2-(1H-imidazol-2-ylsulfanyl)butanimidamide

2-(1H-imidazol-2-ylsulfanyl)butanimidamide (PubChem CID 107780455) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 2-(1H-imidazol-2-ylsulfanyl)butanimidamide.

Molecular Properties

Compound Name2-(1H-imidazol-2-ylsulfanyl)butanimidamide
PubChem CID107780455
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name2-(1H-imidazol-2-ylsulfanyl)butanimidamide
SMILES[H]/N=C(\N)C(CC)Sc1ncc[nH]1
InChIInChI=1S/C7H12N4S/c1-2-5(6(8)9)12-7-10-3-4-11-7/h3-5H,2H2,1H3,(H3,8,9)(H,10,11)
InChIKeyLHIRNZWKJXEUND-UHFFFAOYSA-N
XLogP1.22
TPSA78.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide
CID 106922932
2-amino-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol
CID 107784621
2-(1H-imidazol-2-ylsulfanyl)-3-methylbutanoic acid
CID 107778960
3-amino-2-(1H-imidazol-2-ylsulfanyl)-4,4-dimethylpentan-1-ol
CID 107783953
2-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]butanimidamide
CID 107786081
3-(1H-imidazol-2-ylsulfanyl)-N-methylheptan-4-amine
CID 107783819
3-(1H-imidazol-2-ylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide
CID 114000749
5-fluoro-2-(1H-imidazol-2-ylsulfanylmethyl)benzenecarboximidamide
CID 114000764
methyl 2-amino-3-(1H-imidazol-2-ylsulfanyl)propanoate
CID 107781808
ethyl 2-(1H-imidazol-2-yl)ethanimidate;dihydrochloride
CID 19099228
2-(2-methylbutylsulfanyl)butanimidamide
CID 107750310
1H-imidazol-2-yl thiohypobromite
CID 87059212

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-ylsulfanyl)butanimidamide?
The IUPAC name of 2-(1H-imidazol-2-ylsulfanyl)butanimidamide (CID 107780455) is 2-(1H-imidazol-2-ylsulfanyl)butanimidamide.
What is the SMILES notation for 2-(1H-imidazol-2-ylsulfanyl)butanimidamide?
The canonical SMILES for 2-(1H-imidazol-2-ylsulfanyl)butanimidamide is [H]/N=C(\N)C(CC)Sc1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-ylsulfanyl)butanimidamide?
The InChIKey is LHIRNZWKJXEUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-2-5(6(8)9)12-7-10-3-4-11-7/h3-5H,2H2,1H3,(H3,8,9)(H,10,11).
What are the key properties of 2-(1H-imidazol-2-ylsulfanyl)butanimidamide?
2-(1H-imidazol-2-ylsulfanyl)butanimidamide has a molecular weight of 184.27 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-ylsulfanyl)butanimidamide is sourced from PubChem (CID 107780455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).