3,4-dimethyl-N-phenyl-1,3-thiazol-2-imine

C11H12N2S — CID 741663

IUPAC3,4-dimethyl-N-phenyl-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2ccccc2)n1C
InChIInChI=1S/C11H12N2S/c1-9-8-14-11(13(9)2)12-10-6-4-3-5-7-10/h3-8H,1-2H3/b12-11-
InChIKeyDHCNMNPNNXRRBJ-QXMHVHEDSA-N
MW204.30 g/mol
LogP2.63
Rot. Bonds1

About 3,4-dimethyl-N-phenyl-1,3-thiazol-2-imine

3,4-dimethyl-N-phenyl-1,3-thiazol-2-imine (PubChem CID 741663) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 3,4-dimethyl-N-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3,4-dimethyl-N-phenyl-1,3-thiazol-2-imine
PubChem CID741663
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name3,4-dimethyl-N-phenyl-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2ccccc2)n1C
InChIInChI=1S/C11H12N2S/c1-9-8-14-11(13(9)2)12-10-6-4-3-5-7-10/h3-8H,1-2H3/b12-11-
InChIKeyDHCNMNPNNXRRBJ-QXMHVHEDSA-N
XLogP2.63
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-phenyl-1,3-thiazol-2-imine?
The IUPAC name of 3,4-dimethyl-N-phenyl-1,3-thiazol-2-imine (CID 741663) is 3,4-dimethyl-N-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for 3,4-dimethyl-N-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for 3,4-dimethyl-N-phenyl-1,3-thiazol-2-imine is Cc1cs/c(=N\c2ccccc2)n1C.
What is the InChIKey of 3,4-dimethyl-N-phenyl-1,3-thiazol-2-imine?
The InChIKey is DHCNMNPNNXRRBJ-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H12N2S/c1-9-8-14-11(13(9)2)12-10-6-4-3-5-7-10/h3-8H,1-2H3/b12-11-.
What are the key properties of 3,4-dimethyl-N-phenyl-1,3-thiazol-2-imine?
3,4-dimethyl-N-phenyl-1,3-thiazol-2-imine has a molecular weight of 204.30 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 741663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).