N-[(1-methylimidazol-2-yl)methylideneamino]thiophen-2-amine

C9H10N4S — CID 166749241

IUPACN-[(1-methylimidazol-2-yl)methylideneamino]thiophen-2-amine
SMILESCn1ccnc1C=NNc1cccs1
InChIInChI=1S/C9H10N4S/c1-13-5-4-10-8(13)7-11-12-9-3-2-6-14-9/h2-7,12H,1H3
InChIKeyQITSGRVBEWDBFM-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.93
Rot. Bonds3

About N-[(1-methylimidazol-2-yl)methylideneamino]thiophen-2-amine

N-[(1-methylimidazol-2-yl)methylideneamino]thiophen-2-amine (PubChem CID 166749241) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methylideneamino]thiophen-2-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methylideneamino]thiophen-2-amine
PubChem CID166749241
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC NameN-[(1-methylimidazol-2-yl)methylideneamino]thiophen-2-amine
SMILESCn1ccnc1C=NNc1cccs1
InChIInChI=1S/C9H10N4S/c1-13-5-4-10-8(13)7-11-12-9-3-2-6-14-9/h2-7,12H,1H3
InChIKeyQITSGRVBEWDBFM-UHFFFAOYSA-N
XLogP1.93
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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-[(1-methylimidazol-2-yl)methylideneamino]thiophen-2-amine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methylideneamino]thiophen-2-amine (CID 166749241) is N-[(1-methylimidazol-2-yl)methylideneamino]thiophen-2-amine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methylideneamino]thiophen-2-amine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methylideneamino]thiophen-2-amine is Cn1ccnc1C=NNc1cccs1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methylideneamino]thiophen-2-amine?
The InChIKey is QITSGRVBEWDBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-13-5-4-10-8(13)7-11-12-9-3-2-6-14-9/h2-7,12H,1H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methylideneamino]thiophen-2-amine?
N-[(1-methylimidazol-2-yl)methylideneamino]thiophen-2-amine has a molecular weight of 206.27 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methylideneamino]thiophen-2-amine is sourced from PubChem (CID 166749241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).