3-[(4,5-dimethylthiophen-2-yl)methylamino]-N'-hydroxypropanimidamide

C10H17N3OS — CID 77061647

IUPAC3-[(4,5-dimethylthiophen-2-yl)methylamino]-N'-hydroxypropanimidamide
SMILESCc1cc(CNCCC(N)=NO)sc1C
InChIInChI=1S/C10H17N3OS/c1-7-5-9(15-8(7)2)6-12-4-3-10(11)13-14/h5,12,14H,3-4,6H2,1-2H3,(H2,11,13)
InChIKeyJIKTUSLQOQJLCX-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.59
Rot. Bonds5

About 3-[(4,5-dimethylthiophen-2-yl)methylamino]-N'-hydroxypropanimidamide

3-[(4,5-dimethylthiophen-2-yl)methylamino]-N'-hydroxypropanimidamide (PubChem CID 77061647) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-[(4,5-dimethylthiophen-2-yl)methylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(4,5-dimethylthiophen-2-yl)methylamino]-N'-hydroxypropanimidamide
PubChem CID77061647
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-[(4,5-dimethylthiophen-2-yl)methylamino]-N'-hydroxypropanimidamide
SMILESCc1cc(CNCCC(N)=NO)sc1C
InChIInChI=1S/C10H17N3OS/c1-7-5-9(15-8(7)2)6-12-4-3-10(11)13-14/h5,12,14H,3-4,6H2,1-2H3,(H2,11,13)
InChIKeyJIKTUSLQOQJLCX-UHFFFAOYSA-N
XLogP1.59
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(4,5-dimethylthiophen-2-yl)methylamino]-N'-hydroxypropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethylthiophen-2-yl)methylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(4,5-dimethylthiophen-2-yl)methylamino]-N'-hydroxypropanimidamide (CID 77061647) is 3-[(4,5-dimethylthiophen-2-yl)methylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(4,5-dimethylthiophen-2-yl)methylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(4,5-dimethylthiophen-2-yl)methylamino]-N'-hydroxypropanimidamide is Cc1cc(CNCCC(N)=NO)sc1C.
What is the InChIKey of 3-[(4,5-dimethylthiophen-2-yl)methylamino]-N'-hydroxypropanimidamide?
The InChIKey is JIKTUSLQOQJLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7-5-9(15-8(7)2)6-12-4-3-10(11)13-14/h5,12,14H,3-4,6H2,1-2H3,(H2,11,13).
What are the key properties of 3-[(4,5-dimethylthiophen-2-yl)methylamino]-N'-hydroxypropanimidamide?
3-[(4,5-dimethylthiophen-2-yl)methylamino]-N'-hydroxypropanimidamide has a molecular weight of 227.33 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethylthiophen-2-yl)methylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77061647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).