2-[1-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclobutyl]acetic acid

C16H15ClN2O3S — CID 119217904

IUPAC2-[1-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2csc(-c3ccccc3Cl)n2)CCC1
InChIInChI=1S/C16H15ClN2O3S/c17-11-5-2-1-4-10(11)15-18-12(9-23-15)14(22)19-16(6-3-7-16)8-13(20)21/h1-2,4-5,9H,3,6-8H2,(H,19,22)(H,20,21)
InChIKeyVKSWBACZOZORBS-UHFFFAOYSA-N
MW350.83 g/mol
LogP3.59
Rot. Bonds5

About 2-[1-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclobutyl]acetic acid

2-[1-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclobutyl]acetic acid (PubChem CID 119217904) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is 2-[1-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclobutyl]acetic acid
PubChem CID119217904
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC Name2-[1-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2csc(-c3ccccc3Cl)n2)CCC1
InChIInChI=1S/C16H15ClN2O3S/c17-11-5-2-1-4-10(11)15-18-12(9-23-15)14(22)19-16(6-3-7-16)8-13(20)21/h1-2,4-5,9H,3,6-8H2,(H,19,22)(H,20,21)
InChIKeyVKSWBACZOZORBS-UHFFFAOYSA-N
XLogP3.59
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 119567922
2-[1-[(2-amino-1,3-thiazole-4-carbonyl)amino]cyclohexyl]acetic acid
CID 64686290
2-(2-chlorophenyl)-N-[3-(methylamino)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119431166
2-[1-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]cyclobutyl]acetic acid
CID 119217558
(3S)-3-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid
CID 71239743
2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid
CID 79845388
2-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 119556621
2-(2-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide
CID 120832699
3-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]-ethylamino]propanoic acid
CID 119191537
N-(3-aminobutyl)-2-(2-chlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119496538
(2S)-3-(4-chlorophenyl)-2-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 71240358
2-[1-(1,3-thiazole-4-carbonylamino)cyclopentyl]acetic acid
CID 64671214

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclobutyl]acetic acid (CID 119217904) is 2-[1-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)c2csc(-c3ccccc3Cl)n2)CCC1.
What is the InChIKey of 2-[1-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclobutyl]acetic acid?
The InChIKey is VKSWBACZOZORBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c17-11-5-2-1-4-10(11)15-18-12(9-23-15)14(22)19-16(6-3-7-16)8-13(20)21/h1-2,4-5,9H,3,6-8H2,(H,19,22)(H,20,21).
What are the key properties of 2-[1-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclobutyl]acetic acid has a molecular weight of 350.83 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 119217904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).