2-[1-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]cyclobutyl]acetic acid

C17H18N2O3S — CID 119217558

IUPAC2-[1-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Cc2csc(-c3ccccc3)n2)CCC1
InChIInChI=1S/C17H18N2O3S/c20-14(19-17(7-4-8-17)10-15(21)22)9-13-11-23-16(18-13)12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10H2,(H,19,20)(H,21,22)
InChIKeyYAWSCIBNBBVUHT-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.87
Rot. Bonds6

About 2-[1-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]cyclobutyl]acetic acid

2-[1-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]cyclobutyl]acetic acid (PubChem CID 119217558) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-[1-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]cyclobutyl]acetic acid
PubChem CID119217558
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name2-[1-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Cc2csc(-c3ccccc3)n2)CCC1
InChIInChI=1S/C17H18N2O3S/c20-14(19-17(7-4-8-17)10-15(21)22)9-13-11-23-16(18-13)12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10H2,(H,19,20)(H,21,22)
InChIKeyYAWSCIBNBBVUHT-UHFFFAOYSA-N
XLogP2.87
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclobutyl]acetic acid
CID 119217490
2-[1-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]cyclobutyl]acetic acid
CID 79848391
2-[4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxan-4-yl]acetic acid
CID 119214943
2-[1-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]cyclobutyl]acetic acid
CID 119218180
N-(5-methyl-1,3-thiazol-2-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 17455112
2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
CID 2740630
N-[1-(aminomethyl)cyclopentyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119566846
N-(5-phenyl-2-pyridinyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55952825
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)piperidin-3-yl]acetamide
CID 166286486
N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 4800325
N-[1-(aminomethyl)cyclopentyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide
CID 119566614
1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81167912

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]cyclobutyl]acetic acid (CID 119217558) is 2-[1-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)Cc2csc(-c3ccccc3)n2)CCC1.
What is the InChIKey of 2-[1-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]cyclobutyl]acetic acid?
The InChIKey is YAWSCIBNBBVUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c20-14(19-17(7-4-8-17)10-15(21)22)9-13-11-23-16(18-13)12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10H2,(H,19,20)(H,21,22).
What are the key properties of 2-[1-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]cyclobutyl]acetic acid has a molecular weight of 330.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 119217558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).