1-[[2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetyl]amino]cyclobutane-1-carboxylic acid

C23H23N3O4S — CID 166356690

IUPAC1-[[2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetyl]amino]cyclobutane-1-carboxylic acid
SMILESCOc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)NC2(C(=O)O)CCC2)s1
InChIInChI=1S/C23H23N3O4S/c1-30-17-11-6-5-10-16(17)24-22-25-20(15-8-3-2-4-9-15)18(31-22)14-19(27)26-23(21(28)29)12-7-13-23/h2-6,8-11H,7,12-14H2,1H3,(H,24,25)(H,26,27)(H,28,29)
InChIKeyQXLFGZIOMZFDLP-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.23
Rot. Bonds8

About 1-[[2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetyl]amino]cyclobutane-1-carboxylic acid

1-[[2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 166356690) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is 1-[[2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetyl]amino]cyclobutane-1-carboxylic acid
PubChem CID166356690
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Name1-[[2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetyl]amino]cyclobutane-1-carboxylic acid
SMILESCOc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)NC2(C(=O)O)CCC2)s1
InChIInChI=1S/C23H23N3O4S/c1-30-17-11-6-5-10-16(17)24-22-25-20(15-8-3-2-4-9-15)18(31-22)14-19(27)26-23(21(28)29)12-7-13-23/h2-6,8-11H,7,12-14H2,1H3,(H,24,25)(H,26,27)(H,28,29)
InChIKeyQXLFGZIOMZFDLP-UHFFFAOYSA-N
XLogP4.23
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[[2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetyl]amino]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

N-(2-methoxyphenyl)-4-phenyl-5-propyl-1,3-thiazol-2-amine
CID 672840
2-[4-(3,4-dimethoxyphenyl)-2-(2-ethoxyanilino)-1,3-thiazol-5-yl]acetate
CID 7327070
2-(2-methoxyanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82065234
2-[2-(2-fluoroanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 3145375
2-[2-(2-fluoroanilino)-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 1342304
2-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 154186079
2-[4-(4-ethylphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetic acid
CID 23770800
1-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120666403
1-[2-(2-methoxyphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 106261987
2-[2-(2-fluoroanilino)-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetate
CID 7318710
1-[(2-naphthalen-2-ylacetyl)amino]cyclobutane-1-carboxylic acid
CID 81164008
2-[2-anilino-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 23913706

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetyl]amino]cyclobutane-1-carboxylic acid (CID 166356690) is 1-[[2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetyl]amino]cyclobutane-1-carboxylic acid is COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)NC2(C(=O)O)CCC2)s1.
What is the InChIKey of 1-[[2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is QXLFGZIOMZFDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-30-17-11-6-5-10-16(17)24-22-25-20(15-8-3-2-4-9-15)18(31-22)14-19(27)26-23(21(28)29)12-7-13-23/h2-6,8-11H,7,12-14H2,1H3,(H,24,25)(H,26,27)(H,28,29).
What are the key properties of 1-[[2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetyl]amino]cyclobutane-1-carboxylic acid?
1-[[2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 437.52 g/mol, XLogP of 4.23, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 166356690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).