4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazole

C13H15NOS — CID 107511968

IUPAC4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazole
SMILESCOCc1csc(Cc2ccccc2C)n1
InChIInChI=1S/C13H15NOS/c1-10-5-3-4-6-11(10)7-13-14-12(8-15-2)9-16-13/h3-6,9H,7-8H2,1-2H3
InChIKeyBYONUUGARUEDND-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.19
Rot. Bonds4

About 4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazole

4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazole (PubChem CID 107511968) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazole
PubChem CID107511968
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazole
SMILESCOCc1csc(Cc2ccccc2C)n1
InChIInChI=1S/C13H15NOS/c1-10-5-3-4-6-11(10)7-13-14-12(8-15-2)9-16-13/h3-6,9H,7-8H2,1-2H3
InChIKeyBYONUUGARUEDND-UHFFFAOYSA-N
XLogP3.19
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 110374734
1-[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366066
N-[[4-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide
CID 70330114
6-(methoxymethyl)-N-methyl-2-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 55062684
N-[[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366259
1-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one
CID 115089271
methyl 2-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate
CID 79016822
2-(cyclopentylmethyl)-4-(methoxymethyl)-1,3-thiazole
CID 100742041
4-(chloromethyl)-2-[(2,4-dimethylphenyl)methyl]-1,3-thiazole
CID 82087848
4-(methoxymethyl)-2-(2-methoxypropyl)-1,3-thiazole
CID 107511985
2-[4-(methoxymethyl)-1,3-thiazol-2-yl]aniline
CID 107507057
O-[[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
CID 39363958

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazole?
The IUPAC name of 4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazole (CID 107511968) is 4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazole?
The canonical SMILES for 4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazole is COCc1csc(Cc2ccccc2C)n1.
What is the InChIKey of 4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazole?
The InChIKey is BYONUUGARUEDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-10-5-3-4-6-11(10)7-13-14-12(8-15-2)9-16-13/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazole?
4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazole has a molecular weight of 233.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazole is sourced from PubChem (CID 107511968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).