2-[2-(1-methoxypropyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid

C15H17NO3S — CID 116705427

IUPAC2-[2-(1-methoxypropyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESCCC(OC)c1nc(-c2ccccc2)c(CC(=O)O)s1
InChIInChI=1S/C15H17NO3S/c1-3-11(19-2)15-16-14(10-7-5-4-6-8-10)12(20-15)9-13(17)18/h4-8,11H,3,9H2,1-2H3,(H,17,18)
InChIKeyACQQZJMUGKPHEG-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.53
Rot. Bonds6

About 2-[2-(1-methoxypropyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid

2-[2-(1-methoxypropyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 116705427) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-[2-(1-methoxypropyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(1-methoxypropyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
PubChem CID116705427
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name2-[2-(1-methoxypropyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESCCC(OC)c1nc(-c2ccccc2)c(CC(=O)O)s1
InChIInChI=1S/C15H17NO3S/c1-3-11(19-2)15-16-14(10-7-5-4-6-8-10)12(20-15)9-13(17)18/h4-8,11H,3,9H2,1-2H3,(H,17,18)
InChIKeyACQQZJMUGKPHEG-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-benzhydryl-4-phenyl-1,3-thiazol-5-yl)acetic acid
CID 46230226
2-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 116705266
2-[4-(4-chlorophenyl)-2-[(4-methoxyphenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid
CID 11561470
2-(2-propan-2-yl-4-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82069331
2-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 154186079
2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 6450669
N-ethyl-2-[2-(1-methoxyethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine
CID 79786315
2-[4-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 46230235
5-ethyl-4-phenyl-2-propan-2-yl-1,3-thiazole
CID 90934410
2-[4-(4-fluorophenyl)-2-[(4-hydroxyphenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid
CID 46230375
2-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 82069372
2-[4-(4-methylphenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]acetic acid
CID 71188401

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methoxypropyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(1-methoxypropyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid (CID 116705427) is 2-[2-(1-methoxypropyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(1-methoxypropyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(1-methoxypropyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid is CCC(OC)c1nc(-c2ccccc2)c(CC(=O)O)s1.
What is the InChIKey of 2-[2-(1-methoxypropyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is ACQQZJMUGKPHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-3-11(19-2)15-16-14(10-7-5-4-6-8-10)12(20-15)9-13(17)18/h4-8,11H,3,9H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(1-methoxypropyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
2-[2-(1-methoxypropyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 291.37 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methoxypropyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 116705427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).