4,5-dimethyl-2-(1-phenylethyl)-1,3-thiazole

C13H15NS — CID 83382597

IUPAC4,5-dimethyl-2-(1-phenylethyl)-1,3-thiazole
SMILESCc1nc(C(C)c2ccccc2)sc1C
InChIInChI=1S/C13H15NS/c1-9(12-7-5-4-6-8-12)13-14-10(2)11(3)15-13/h4-9H,1-3H3
InChIKeyDIAQSXUZJVVEHY-UHFFFAOYSA-N
MW217.34 g/mol
LogP3.91
Rot. Bonds2

About 4,5-dimethyl-2-(1-phenylethyl)-1,3-thiazole

4,5-dimethyl-2-(1-phenylethyl)-1,3-thiazole (PubChem CID 83382597) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is 4,5-dimethyl-2-(1-phenylethyl)-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(1-phenylethyl)-1,3-thiazole
PubChem CID83382597
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name4,5-dimethyl-2-(1-phenylethyl)-1,3-thiazole
SMILESCc1nc(C(C)c2ccccc2)sc1C
InChIInChI=1S/C13H15NS/c1-9(12-7-5-4-6-8-12)13-14-10(2)11(3)15-13/h4-9H,1-3H3
InChIKeyDIAQSXUZJVVEHY-UHFFFAOYSA-N
XLogP3.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 61334577
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-phenylpropan-1-amine
CID 62544596
3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1-phenylpropan-1-ol
CID 104846232
1-phenylethylbenzene
CID 11918
1-phenylethylbenzene
CID 142851428
2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanoic acid
CID 104571505
2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-phenylacetamide
CID 110628692
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine
CID 61332174
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-phenylethanamine
CID 65168981
ethane;1-phenylethylbenzene
CID 164998811
1-phenylethylbenzene;stibane
CID 174965918
[4-(difluoromethyl)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
CID 113328487

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(1-phenylethyl)-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-(1-phenylethyl)-1,3-thiazole (CID 83382597) is 4,5-dimethyl-2-(1-phenylethyl)-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-(1-phenylethyl)-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-(1-phenylethyl)-1,3-thiazole is Cc1nc(C(C)c2ccccc2)sc1C.
What is the InChIKey of 4,5-dimethyl-2-(1-phenylethyl)-1,3-thiazole?
The InChIKey is DIAQSXUZJVVEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-9(12-7-5-4-6-8-12)13-14-10(2)11(3)15-13/h4-9H,1-3H3.
What are the key properties of 4,5-dimethyl-2-(1-phenylethyl)-1,3-thiazole?
4,5-dimethyl-2-(1-phenylethyl)-1,3-thiazole has a molecular weight of 217.34 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(1-phenylethyl)-1,3-thiazole is sourced from PubChem (CID 83382597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).