3-benzyl-4-methyl-1,3-thiazol-2-imine

C11H12N2S — CID 1100270

IUPAC3-benzyl-4-methyl-1,3-thiazol-2-imine
SMILES[H]/N=c1\scc(C)n1Cc1ccccc1
InChIInChI=1S/C11H12N2S/c1-9-8-14-11(12)13(9)7-10-5-3-2-4-6-10/h2-6,8,12H,7H2,1H3/b12-11-
InChIKeyKVIZBVXGJGXMOC-QXMHVHEDSA-N
MW204.30 g/mol
LogP2.39
Rot. Bonds2

About 3-benzyl-4-methyl-1,3-thiazol-2-imine

3-benzyl-4-methyl-1,3-thiazol-2-imine (PubChem CID 1100270) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 3-benzyl-4-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-benzyl-4-methyl-1,3-thiazol-2-imine
PubChem CID1100270
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name3-benzyl-4-methyl-1,3-thiazol-2-imine
SMILES[H]/N=c1\scc(C)n1Cc1ccccc1
InChIInChI=1S/C11H12N2S/c1-9-8-14-11(12)13(9)7-10-5-3-2-4-6-10/h2-6,8,12H,7H2,1H3/b12-11-
InChIKeyKVIZBVXGJGXMOC-QXMHVHEDSA-N
XLogP2.39
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
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-benzyl-4-methyl-1,3-thiazol-2-imine?
The IUPAC name of 3-benzyl-4-methyl-1,3-thiazol-2-imine (CID 1100270) is 3-benzyl-4-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-benzyl-4-methyl-1,3-thiazol-2-imine?
The canonical SMILES for 3-benzyl-4-methyl-1,3-thiazol-2-imine is [H]/N=c1\scc(C)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-methyl-1,3-thiazol-2-imine?
The InChIKey is KVIZBVXGJGXMOC-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H12N2S/c1-9-8-14-11(12)13(9)7-10-5-3-2-4-6-10/h2-6,8,12H,7H2,1H3/b12-11-.
What are the key properties of 3-benzyl-4-methyl-1,3-thiazol-2-imine?
3-benzyl-4-methyl-1,3-thiazol-2-imine has a molecular weight of 204.30 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 1100270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).