3,4-dimethyl-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-imine

C10H13N5S — CID 69054615

IUPAC3,4-dimethyl-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESCc1csc(=NN=Cc2nccn2C)n1C
InChIInChI=1S/C10H13N5S/c1-8-7-16-10(15(8)3)13-12-6-9-11-4-5-14(9)2/h4-7H,1-3H3
InChIKeyWNMNRZDWZHEIQZ-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.06
Rot. Bonds2

About 3,4-dimethyl-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-imine

3,4-dimethyl-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-imine (PubChem CID 69054615) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3,4-dimethyl-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-imine
PubChem CID69054615
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name3,4-dimethyl-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESCc1csc(=NN=Cc2nccn2C)n1C
InChIInChI=1S/C10H13N5S/c1-8-7-16-10(15(8)3)13-12-6-9-11-4-5-14(9)2/h4-7H,1-3H3
InChIKeyWNMNRZDWZHEIQZ-UHFFFAOYSA-N
XLogP1.06
TPSA47.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'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 3,4-dimethyl-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of 3,4-dimethyl-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-imine (CID 69054615) is 3,4-dimethyl-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for 3,4-dimethyl-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for 3,4-dimethyl-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-imine is Cc1csc(=NN=Cc2nccn2C)n1C.
What is the InChIKey of 3,4-dimethyl-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is WNMNRZDWZHEIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-8-7-16-10(15(8)3)13-12-6-9-11-4-5-14(9)2/h4-7H,1-3H3.
What are the key properties of 3,4-dimethyl-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-imine?
3,4-dimethyl-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 235.32 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 69054615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).