2-(2-ethyl-5-methoxycarbonyl-1,3-thiazol-4-yl)acetic acid

C9H11NO4S — CID 69487025

IUPAC2-(2-ethyl-5-methoxycarbonyl-1,3-thiazol-4-yl)acetic acid
SMILESCCc1nc(CC(=O)O)c(C(=O)OC)s1
InChIInChI=1S/C9H11NO4S/c1-3-6-10-5(4-7(11)12)8(15-6)9(13)14-2/h3-4H2,1-2H3,(H,11,12)
InChIKeyFOMHLKXBYJEPFI-UHFFFAOYSA-N
MW229.26 g/mol
LogP1.12
Rot. Bonds4

About 2-(2-ethyl-5-methoxycarbonyl-1,3-thiazol-4-yl)acetic acid

2-(2-ethyl-5-methoxycarbonyl-1,3-thiazol-4-yl)acetic acid (PubChem CID 69487025) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-(2-ethyl-5-methoxycarbonyl-1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-ethyl-5-methoxycarbonyl-1,3-thiazol-4-yl)acetic acid
PubChem CID69487025
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name2-(2-ethyl-5-methoxycarbonyl-1,3-thiazol-4-yl)acetic acid
SMILESCCc1nc(CC(=O)O)c(C(=O)OC)s1
InChIInChI=1S/C9H11NO4S/c1-3-6-10-5(4-7(11)12)8(15-6)9(13)14-2/h3-4H2,1-2H3,(H,11,12)
InChIKeyFOMHLKXBYJEPFI-UHFFFAOYSA-N
XLogP1.12
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-ethyl-2-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxylate;hydrochloride
CID 120558464
2-[5-(diethylaminomethyl)-2-ethyl-1,3-thiazol-4-yl]acetic acid
CID 82069250
4-[2-(cyclopentylamino)-2-oxoethyl]-2-ethyl-1,3-thiazole-5-carboxylic acid
CID 69484910
2-[5-[(dipropylamino)methyl]-2-ethyl-1,3-thiazol-4-yl]acetic acid
CID 82069200
2-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid
CID 69484863
4-(carboxymethyl)-2-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 82391389
2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetic acid
CID 82069378
ethyl 4-(cyclopentylmethyl)-2-ethyl-1,3-thiazole-5-carboxylate
CID 69484821
2-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 82069372
4-amino-2-ethyl-1,3-thiazole-5-carboxylic acid
CID 83529575
methyl 2-(1-acetylpiperidin-3-yl)-4-ethyl-1,3-thiazole-5-carboxylate
CID 122150191
ethyl 2-[(tert-butylamino)methyl]-4-ethyl-1,3-thiazole-5-carboxylate
CID 104840699

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methoxycarbonyl-1,3-thiazol-4-yl)acetic acid?
The IUPAC name of 2-(2-ethyl-5-methoxycarbonyl-1,3-thiazol-4-yl)acetic acid (CID 69487025) is 2-(2-ethyl-5-methoxycarbonyl-1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-ethyl-5-methoxycarbonyl-1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-ethyl-5-methoxycarbonyl-1,3-thiazol-4-yl)acetic acid is CCc1nc(CC(=O)O)c(C(=O)OC)s1.
What is the InChIKey of 2-(2-ethyl-5-methoxycarbonyl-1,3-thiazol-4-yl)acetic acid?
The InChIKey is FOMHLKXBYJEPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-3-6-10-5(4-7(11)12)8(15-6)9(13)14-2/h3-4H2,1-2H3,(H,11,12).
What are the key properties of 2-(2-ethyl-5-methoxycarbonyl-1,3-thiazol-4-yl)acetic acid?
2-(2-ethyl-5-methoxycarbonyl-1,3-thiazol-4-yl)acetic acid has a molecular weight of 229.26 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methoxycarbonyl-1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 69487025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).