2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethoxy]phenyl]acetic acid

C14H15NO3S2 — CID 63097712

IUPAC2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethoxy]phenyl]acetic acid
SMILESCc1csc(SCCOc2ccc(CC(=O)O)cc2)n1
InChIInChI=1S/C14H15NO3S2/c1-10-9-20-14(15-10)19-7-6-18-12-4-2-11(3-5-12)8-13(16)17/h2-5,9H,6-8H2,1H3,(H,16,17)
InChIKeyDXZIICNVRYVXFU-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.25
Rot. Bonds7

About 2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethoxy]phenyl]acetic acid

2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethoxy]phenyl]acetic acid (PubChem CID 63097712) has the molecular formula C14H15NO3S2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethoxy]phenyl]acetic acid
PubChem CID63097712
Molecular FormulaC14H15NO3S2
Molecular Weight309.41 g/mol
Exact Mass309.05
IUPAC Name2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethoxy]phenyl]acetic acid
SMILESCc1csc(SCCOc2ccc(CC(=O)O)cc2)n1
InChIInChI=1S/C14H15NO3S2/c1-10-9-20-14(15-10)19-7-6-18-12-4-2-11(3-5-12)8-13(16)17/h2-5,9H,6-8H2,1H3,(H,16,17)
InChIKeyDXZIICNVRYVXFU-UHFFFAOYSA-N
XLogP3.25
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propoxy]benzonitrile
CID 43290042
2-[2-(3-chlorophenoxy)ethylsulfanyl]-4-methyl-1,3-thiazole
CID 47096462
2-[4-[2-(4-chlorophenoxy)ethylsulfanyl]phenyl]acetic acid
CID 64928357
2-[4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethoxy]phenyl]acetic acid
CID 63099264
O-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]hydroxylamine
CID 131223188
2-(4-methoxyphenoxy)ethyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate
CID 7362088
3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylpropan-1-one
CID 116692221
[6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-(4-ethoxyphenyl)acetate
CID 7267904
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 55960096
2-[4-(2-chloroethoxy)phenyl]acetic acid
CID 22615229
2-amino-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butanoic acid
CID 63035563
2-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]phenyl]acetic acid
CID 105345287

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethoxy]phenyl]acetic acid?
The IUPAC name of 2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethoxy]phenyl]acetic acid (CID 63097712) is 2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethoxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethoxy]phenyl]acetic acid is Cc1csc(SCCOc2ccc(CC(=O)O)cc2)n1.
What is the InChIKey of 2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethoxy]phenyl]acetic acid?
The InChIKey is DXZIICNVRYVXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S2/c1-10-9-20-14(15-10)19-7-6-18-12-4-2-11(3-5-12)8-13(16)17/h2-5,9H,6-8H2,1H3,(H,16,17).
What are the key properties of 2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethoxy]phenyl]acetic acid?
2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethoxy]phenyl]acetic acid has a molecular weight of 309.41 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethoxy]phenyl]acetic acid is sourced from PubChem (CID 63097712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).