2-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid

C15H16N2O4S — CID 146107303

IUPAC2-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid
SMILESCc1cnc(C(C)NC(=O)c2ccc(OCC(=O)O)cc2)s1
InChIInChI=1S/C15H16N2O4S/c1-9-7-16-15(22-9)10(2)17-14(20)11-3-5-12(6-4-11)21-8-13(18)19/h3-7,10H,8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyBETFCMAIMYOJEB-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.41
Rot. Bonds6

About 2-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid

2-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid (PubChem CID 146107303) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid
PubChem CID146107303
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name2-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid
SMILESCc1cnc(C(C)NC(=O)c2ccc(OCC(=O)O)cc2)s1
InChIInChI=1S/C15H16N2O4S/c1-9-7-16-15(22-9)10(2)17-14(20)11-3-5-12(6-4-11)21-8-13(18)19/h3-7,10H,8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyBETFCMAIMYOJEB-UHFFFAOYSA-N
XLogP2.41
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112697308
3-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702022
3,5-dibromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103908469
2-hydroxy-4-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 115681589
2,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 113251802
N-hydroxy-2-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 58418143
2-[(2-methylpropan-2-yl)oxy]-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 112629805
5-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
CID 104607848
6-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrimidine-4-carboxylic acid
CID 139564980
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-fluorobenzamide
CID 113251187
5-amino-2,4-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 102705874
2-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112704951

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid (CID 146107303) is 2-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid is Cc1cnc(C(C)NC(=O)c2ccc(OCC(=O)O)cc2)s1.
What is the InChIKey of 2-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid?
The InChIKey is BETFCMAIMYOJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-9-7-16-15(22-9)10(2)17-14(20)11-3-5-12(6-4-11)21-8-13(18)19/h3-7,10H,8H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 2-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid?
2-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid has a molecular weight of 320.37 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 146107303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).