3-[4-(methoxymethyl)-2-(3-methylphenyl)-1,3-thiazol-5-yl]propanoic acid

C15H17NO3S — CID 82440255

IUPAC3-[4-(methoxymethyl)-2-(3-methylphenyl)-1,3-thiazol-5-yl]propanoic acid
SMILESCOCc1nc(-c2cccc(C)c2)sc1CCC(=O)O
InChIInChI=1S/C15H17NO3S/c1-10-4-3-5-11(8-10)15-16-12(9-19-2)13(20-15)6-7-14(17)18/h3-5,8H,6-7,9H2,1-2H3,(H,17,18)
InChIKeyQRDMYTCLMZHNSW-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.28
Rot. Bonds6

About 3-[4-(methoxymethyl)-2-(3-methylphenyl)-1,3-thiazol-5-yl]propanoic acid

3-[4-(methoxymethyl)-2-(3-methylphenyl)-1,3-thiazol-5-yl]propanoic acid (PubChem CID 82440255) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 3-[4-(methoxymethyl)-2-(3-methylphenyl)-1,3-thiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(methoxymethyl)-2-(3-methylphenyl)-1,3-thiazol-5-yl]propanoic acid
PubChem CID82440255
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name3-[4-(methoxymethyl)-2-(3-methylphenyl)-1,3-thiazol-5-yl]propanoic acid
SMILESCOCc1nc(-c2cccc(C)c2)sc1CCC(=O)O
InChIInChI=1S/C15H17NO3S/c1-10-4-3-5-11(8-10)15-16-12(9-19-2)13(20-15)6-7-14(17)18/h3-5,8H,6-7,9H2,1-2H3,(H,17,18)
InChIKeyQRDMYTCLMZHNSW-UHFFFAOYSA-N
XLogP3.28
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(3-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoic acid
CID 82433961
4-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-2-one
CID 116886466
3-(2-phenyl-4-propyl-1,3-thiazol-5-yl)propanoic acid
CID 82431422
3-[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]propanoic acid
CID 82441990
2-[4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid
CID 82440343
3-[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propanoic acid
CID 82432663
[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]methanol
CID 82428598
3-[5-bromo-1-methyl-2-(3-methylphenyl)imidazol-4-yl]propanoic acid
CID 84605389
2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-2-oxoacetaldehyde
CID 12748654
1-[2-(3-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366087
methyl 5-methyl-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 22494233
methyl 2-(3-aminophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylate
CID 114358841

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methoxymethyl)-2-(3-methylphenyl)-1,3-thiazol-5-yl]propanoic acid?
The IUPAC name of 3-[4-(methoxymethyl)-2-(3-methylphenyl)-1,3-thiazol-5-yl]propanoic acid (CID 82440255) is 3-[4-(methoxymethyl)-2-(3-methylphenyl)-1,3-thiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[4-(methoxymethyl)-2-(3-methylphenyl)-1,3-thiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[4-(methoxymethyl)-2-(3-methylphenyl)-1,3-thiazol-5-yl]propanoic acid is COCc1nc(-c2cccc(C)c2)sc1CCC(=O)O.
What is the InChIKey of 3-[4-(methoxymethyl)-2-(3-methylphenyl)-1,3-thiazol-5-yl]propanoic acid?
The InChIKey is QRDMYTCLMZHNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-10-4-3-5-11(8-10)15-16-12(9-19-2)13(20-15)6-7-14(17)18/h3-5,8H,6-7,9H2,1-2H3,(H,17,18).
What are the key properties of 3-[4-(methoxymethyl)-2-(3-methylphenyl)-1,3-thiazol-5-yl]propanoic acid?
3-[4-(methoxymethyl)-2-(3-methylphenyl)-1,3-thiazol-5-yl]propanoic acid has a molecular weight of 291.37 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methoxymethyl)-2-(3-methylphenyl)-1,3-thiazol-5-yl]propanoic acid is sourced from PubChem (CID 82440255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).