2-[4-(4-methoxy-3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid

C16H19NO3S — CID 82069391

IUPAC2-[4-(4-methoxy-3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid
SMILESCCCc1nc(-c2ccc(OC)c(C)c2)c(CC(=O)O)s1
InChIInChI=1S/C16H19NO3S/c1-4-5-14-17-16(13(21-14)9-15(18)19)11-6-7-12(20-3)10(2)8-11/h6-8H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyCJUFDYWWNVXIRG-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.71
Rot. Bonds6

About 2-[4-(4-methoxy-3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid

2-[4-(4-methoxy-3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 82069391) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[4-(4-methoxy-3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-methoxy-3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid
PubChem CID82069391
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name2-[4-(4-methoxy-3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid
SMILESCCCc1nc(-c2ccc(OC)c(C)c2)c(CC(=O)O)s1
InChIInChI=1S/C16H19NO3S/c1-4-5-14-17-16(13(21-14)9-15(18)19)11-6-7-12(20-3)10(2)8-11/h6-8H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyCJUFDYWWNVXIRG-UHFFFAOYSA-N
XLogP3.71
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 97180987
2-[4-(4-methoxy-3-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]acetic acid
CID 97180992
2-[4-(2,4-dimethylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid
CID 82069390
2-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 82069372
2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid
CID 82132981
2-[2-ethyl-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 82069356
2-[4-(3,4-dimethoxyphenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]acetic acid
CID 97181011
2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
CID 82301560
6-(4-methoxy-3-methylphenyl)-5-methyl-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035494
2-[4-(4-tert-butylphenyl)-2-ethyl-1,3-thiazol-5-yl]acetic acid
CID 82069366
2-[2-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid
CID 82069351
2-[6-(4-methoxy-3-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 93210519

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxy-3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(4-methoxy-3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid (CID 82069391) is 2-[4-(4-methoxy-3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-methoxy-3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(4-methoxy-3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid is CCCc1nc(-c2ccc(OC)c(C)c2)c(CC(=O)O)s1.
What is the InChIKey of 2-[4-(4-methoxy-3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is CJUFDYWWNVXIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-4-5-14-17-16(13(21-14)9-15(18)19)11-6-7-12(20-3)10(2)8-11/h6-8H,4-5,9H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-(4-methoxy-3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid?
2-[4-(4-methoxy-3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 305.40 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxy-3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82069391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).