4-(2,4-dimethylphenyl)-2-(methoxymethyl)-1,3-thiazole

C13H15NOS — CID 116969941

IUPAC4-(2,4-dimethylphenyl)-2-(methoxymethyl)-1,3-thiazole
SMILESCOCc1nc(-c2ccc(C)cc2C)cs1
InChIInChI=1S/C13H15NOS/c1-9-4-5-11(10(2)6-9)12-8-16-13(14-12)7-15-3/h4-6,8H,7H2,1-3H3
InChIKeyZUTGMWZWGUAINL-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.57
Rot. Bonds3

About 4-(2,4-dimethylphenyl)-2-(methoxymethyl)-1,3-thiazole

4-(2,4-dimethylphenyl)-2-(methoxymethyl)-1,3-thiazole (PubChem CID 116969941) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-2-(methoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-2-(methoxymethyl)-1,3-thiazole
PubChem CID116969941
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name4-(2,4-dimethylphenyl)-2-(methoxymethyl)-1,3-thiazole
SMILESCOCc1nc(-c2ccc(C)cc2C)cs1
InChIInChI=1S/C13H15NOS/c1-9-4-5-11(10(2)6-9)12-8-16-13(14-12)7-15-3/h4-6,8H,7H2,1-3H3
InChIKeyZUTGMWZWGUAINL-UHFFFAOYSA-N
XLogP3.57
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine
CID 116964953
3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 116965093
4-(2,4-dimethylphenyl)-2-methoxy-1,3-thiazole
CID 116967726
4-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8962177
methyl 2-[2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]ethylsulfanyl]acetate
CID 2798600
3-(3,4-dimethoxyphenyl)-5-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]methyl]-1,2,4-oxadiazole
CID 50838705
4-(2,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 17465165
4-(2,4-dimethylphenyl)-2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 94700101
4-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-1,3-thiazole
CID 116969940
2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963723
[1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropyl]methanol
CID 116966908
O-[2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]ethyl]hydroxylamine
CID 39351081

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-2-(methoxymethyl)-1,3-thiazole?
The IUPAC name of 4-(2,4-dimethylphenyl)-2-(methoxymethyl)-1,3-thiazole (CID 116969941) is 4-(2,4-dimethylphenyl)-2-(methoxymethyl)-1,3-thiazole.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-2-(methoxymethyl)-1,3-thiazole?
The canonical SMILES for 4-(2,4-dimethylphenyl)-2-(methoxymethyl)-1,3-thiazole is COCc1nc(-c2ccc(C)cc2C)cs1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-2-(methoxymethyl)-1,3-thiazole?
The InChIKey is ZUTGMWZWGUAINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-9-4-5-11(10(2)6-9)12-8-16-13(14-12)7-15-3/h4-6,8H,7H2,1-3H3.
What are the key properties of 4-(2,4-dimethylphenyl)-2-(methoxymethyl)-1,3-thiazole?
4-(2,4-dimethylphenyl)-2-(methoxymethyl)-1,3-thiazole has a molecular weight of 233.34 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-2-(methoxymethyl)-1,3-thiazole is sourced from PubChem (CID 116969941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).