4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine

C11H12N4S — CID 73352167

IUPAC4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N\Nc1nc(C)cs1)c1ccccn1
InChIInChI=1S/C11H12N4S/c1-8-7-16-11(13-8)15-14-9(2)10-5-3-4-6-12-10/h3-7H,1-2H3,(H,13,15)/b14-9+
InChIKeyFTIBVIJLMWPTEQ-NTEUORMPSA-N
MW232.31 g/mol
LogP2.68
Rot. Bonds3

About 4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine

4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine (PubChem CID 73352167) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is 4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine
PubChem CID73352167
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N\Nc1nc(C)cs1)c1ccccn1
InChIInChI=1S/C11H12N4S/c1-8-7-16-11(13-8)15-14-9(2)10-5-3-4-6-12-10/h3-7H,1-2H3,(H,13,15)/b14-9+
InChIKeyFTIBVIJLMWPTEQ-NTEUORMPSA-N
XLogP2.68
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.68
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 4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine (CID 73352167) is 4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine is C/C(=N\Nc1nc(C)cs1)c1ccccn1.
What is the InChIKey of 4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is FTIBVIJLMWPTEQ-NTEUORMPSA-N. The full InChI is InChI=1S/C11H12N4S/c1-8-7-16-11(13-8)15-14-9(2)10-5-3-4-6-12-10/h3-7H,1-2H3,(H,13,15)/b14-9+.
What are the key properties of 4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine?
4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 232.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 73352167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).