2-[4-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid

C17H18N2O4S — CID 138033265

IUPAC2-[4-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cc(-c3ccccc3)ns2)CCOCC1
InChIInChI=1S/C17H18N2O4S/c20-15(21)11-17(6-8-23-9-7-17)18-16(22)14-10-13(19-24-14)12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H,18,22)(H,20,21)
InChIKeyLOCCFUQBAHYDIZ-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.56
Rot. Bonds5

About 2-[4-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid

2-[4-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid (PubChem CID 138033265) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-[4-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid
PubChem CID138033265
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name2-[4-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cc(-c3ccccc3)ns2)CCOCC1
InChIInChI=1S/C17H18N2O4S/c20-15(21)11-17(6-8-23-9-7-17)18-16(22)14-10-13(19-24-14)12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H,18,22)(H,20,21)
InChIKeyLOCCFUQBAHYDIZ-UHFFFAOYSA-N
XLogP2.56
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyanooxan-4-yl)-3-phenyl-1,2-thiazole-5-carboxamide
CID 127391595
2-[4-(quinoxaline-2-carbonylamino)oxan-4-yl]acetic acid
CID 119214947
2-[4-[(5-fluoro-1-benzothiophene-2-carbonyl)amino]oxan-4-yl]acetic acid
CID 119215417
2-[4-(indolizine-2-carbonylamino)oxan-4-yl]acetic acid
CID 99578301
2-[4-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonylamino)oxan-4-yl]acetic acid
CID 119214606
2-[4-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid
CID 120521521
N-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide
CID 103954237
2-[4-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid
CID 119215655
2-[4-[(3-nitrobenzoyl)amino]oxan-4-yl]acetic acid
CID 119214767
2-[4-[(4-ethylbenzoyl)amino]oxan-4-yl]acetic acid
CID 119215520
2-[4-(1,3-benzodioxole-5-carbonylamino)oxan-4-yl]acetic acid
CID 119215665
2-[4-[3-(naphthalene-2-carbonylamino)propanoylamino]oxan-4-yl]acetic acid
CID 119214636

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid (CID 138033265) is 2-[4-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid is O=C(O)CC1(NC(=O)c2cc(-c3ccccc3)ns2)CCOCC1.
What is the InChIKey of 2-[4-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid?
The InChIKey is LOCCFUQBAHYDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c20-15(21)11-17(6-8-23-9-7-17)18-16(22)14-10-13(19-24-14)12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H,18,22)(H,20,21).
What are the key properties of 2-[4-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid?
2-[4-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid has a molecular weight of 346.41 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid is sourced from PubChem (CID 138033265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).