2-[2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid

C17H16N2O4S — CID 102534728

IUPAC2-[2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCCc1ccc2oc(C(=O)Nc3nc(CC(=O)O)cs3)c(C)c2c1
InChIInChI=1S/C17H16N2O4S/c1-3-10-4-5-13-12(6-10)9(2)15(23-13)16(22)19-17-18-11(8-24-17)7-14(20)21/h4-6,8H,3,7H2,1-2H3,(H,20,21)(H,18,19,22)
InChIKeyFCENZGDCZVXURT-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.64
Rot. Bonds5

About 2-[2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid

2-[2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 102534728) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-[2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID102534728
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name2-[2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCCc1ccc2oc(C(=O)Nc3nc(CC(=O)O)cs3)c(C)c2c1
InChIInChI=1S/C17H16N2O4S/c1-3-10-4-5-13-12(6-10)9(2)15(23-13)16(22)19-17-18-11(8-24-17)7-14(20)21/h4-6,8H,3,7H2,1-2H3,(H,20,21)(H,18,19,22)
InChIKeyFCENZGDCZVXURT-UHFFFAOYSA-N
XLogP3.64
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 19241157
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 24584470
N-(1,3-benzothiazol-2-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 19241153
5-ethyl-N-(2-ethylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 19241076
1-(5-ethyl-3-methyl-1-benzofuran-2-yl)ethanone
CID 43155112
5-chloro-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 7992606
5-ethyl-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
CID 19241055
5-ethyl-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 102534716
5-ethyl-N-(3-iodophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 1248180
3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 7770823
2-[2-[[2-(3,4-dimethylphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 60708471
ethyl 2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate
CID 19241228

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid (CID 102534728) is 2-[2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid is CCc1ccc2oc(C(=O)Nc3nc(CC(=O)O)cs3)c(C)c2c1.
What is the InChIKey of 2-[2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is FCENZGDCZVXURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-3-10-4-5-13-12(6-10)9(2)15(23-13)16(22)19-17-18-11(8-24-17)7-14(20)21/h4-6,8H,3,7H2,1-2H3,(H,20,21)(H,18,19,22).
What are the key properties of 2-[2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 344.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 102534728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).