2-benzyl-4-methyl-4,5-dihydro-1,3-thiazole

C11H13NS — CID 67489011

IUPAC2-benzyl-4-methyl-4,5-dihydro-1,3-thiazole
SMILESCC1CSC(Cc2ccccc2)=N1
InChIInChI=1S/C11H13NS/c1-9-8-13-11(12-9)7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyYJBCTKZQWYFLPO-UHFFFAOYSA-N
MW191.30 g/mol
LogP2.76
Rot. Bonds2

About 2-benzyl-4-methyl-4,5-dihydro-1,3-thiazole

2-benzyl-4-methyl-4,5-dihydro-1,3-thiazole (PubChem CID 67489011) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-benzyl-4-methyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-benzyl-4-methyl-4,5-dihydro-1,3-thiazole
PubChem CID67489011
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name2-benzyl-4-methyl-4,5-dihydro-1,3-thiazole
SMILESCC1CSC(Cc2ccccc2)=N1
InChIInChI=1S/C11H13NS/c1-9-8-13-11(12-9)7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyYJBCTKZQWYFLPO-UHFFFAOYSA-N
XLogP2.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-methyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-benzyl-4-methyl-4,5-dihydro-1,3-thiazole (CID 67489011) is 2-benzyl-4-methyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-benzyl-4-methyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-benzyl-4-methyl-4,5-dihydro-1,3-thiazole is CC1CSC(Cc2ccccc2)=N1.
What is the InChIKey of 2-benzyl-4-methyl-4,5-dihydro-1,3-thiazole?
The InChIKey is YJBCTKZQWYFLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c1-9-8-13-11(12-9)7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3.
What are the key properties of 2-benzyl-4-methyl-4,5-dihydro-1,3-thiazole?
2-benzyl-4-methyl-4,5-dihydro-1,3-thiazole has a molecular weight of 191.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-methyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 67489011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).