2-benzyl-4,4-dimethyl-5H-1,3-thiazole

C12H15NS — CID 3040932

IUPAC2-benzyl-4,4-dimethyl-5H-1,3-thiazole
SMILESCC1(C)CSC(Cc2ccccc2)=N1
InChIInChI=1S/C12H15NS/c1-12(2)9-14-11(13-12)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyFBJLAZQFAKLTKS-UHFFFAOYSA-N
MW205.33 g/mol
LogP3.15
Rot. Bonds2

About 2-benzyl-4,4-dimethyl-5H-1,3-thiazole

2-benzyl-4,4-dimethyl-5H-1,3-thiazole (PubChem CID 3040932) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 2-benzyl-4,4-dimethyl-5H-1,3-thiazole.

Molecular Properties

Compound Name2-benzyl-4,4-dimethyl-5H-1,3-thiazole
PubChem CID3040932
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name2-benzyl-4,4-dimethyl-5H-1,3-thiazole
SMILESCC1(C)CSC(Cc2ccccc2)=N1
InChIInChI=1S/C12H15NS/c1-12(2)9-14-11(13-12)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyFBJLAZQFAKLTKS-UHFFFAOYSA-N
XLogP3.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4,4-dimethyl-5H-1,3-thiazole?
The IUPAC name of 2-benzyl-4,4-dimethyl-5H-1,3-thiazole (CID 3040932) is 2-benzyl-4,4-dimethyl-5H-1,3-thiazole.
What is the SMILES notation for 2-benzyl-4,4-dimethyl-5H-1,3-thiazole?
The canonical SMILES for 2-benzyl-4,4-dimethyl-5H-1,3-thiazole is CC1(C)CSC(Cc2ccccc2)=N1.
What is the InChIKey of 2-benzyl-4,4-dimethyl-5H-1,3-thiazole?
The InChIKey is FBJLAZQFAKLTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-12(2)9-14-11(13-12)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3.
What are the key properties of 2-benzyl-4,4-dimethyl-5H-1,3-thiazole?
2-benzyl-4,4-dimethyl-5H-1,3-thiazole has a molecular weight of 205.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4,4-dimethyl-5H-1,3-thiazole is sourced from PubChem (CID 3040932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).