2-(2-chlorophenyl)-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide

C15H15ClN2O3S — CID 95174222

IUPAC2-(2-chlorophenyl)-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide
SMILESO=C(NO[C@@H]1CCCCO1)c1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C15H15ClN2O3S/c16-11-6-2-1-5-10(11)15-17-12(9-22-15)14(19)18-21-13-7-3-4-8-20-13/h1-2,5-6,9,13H,3-4,7-8H2,(H,18,19)/t13-/m1/s1
InChIKeyLNOJIMKDFXRVTD-CYBMUJFWSA-N
MW338.82 g/mol
LogP3.65
Rot. Bonds4

About 2-(2-chlorophenyl)-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide

2-(2-chlorophenyl)-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide (PubChem CID 95174222) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide
PubChem CID95174222
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC Name2-(2-chlorophenyl)-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide
SMILESO=C(NO[C@@H]1CCCCO1)c1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C15H15ClN2O3S/c16-11-6-2-1-5-10(11)15-17-12(9-22-15)14(19)18-21-13-7-3-4-8-20-13/h1-2,5-6,9,13H,3-4,7-8H2,(H,18,19)/t13-/m1/s1
InChIKeyLNOJIMKDFXRVTD-CYBMUJFWSA-N
XLogP3.65
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-[(2S)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide
CID 95305807
2-acetamido-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide
CID 94824310
4-chloro-N-(oxan-2-yloxy)benzamide
CID 51103118
N-(oxan-2-yloxy)-3-phenylthiophene-2-carboxamide
CID 60613305
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 119456734
2-(4-chlorobenzoyl)-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52828045
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119456733
3-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]-(oxan-4-yl)amino]propanoic acid
CID 122146301
2-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 119556621
4-(2-chlorophenyl)-N-[(2S)-oxan-2-yl]oxyoxane-4-carboxamide
CID 95322508
2-[1-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclobutyl]acetic acid
CID 119217904
5-ethyl-N-(oxan-2-yloxy)furan-2-carboxamide
CID 60613092

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide (CID 95174222) is 2-(2-chlorophenyl)-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide is O=C(NO[C@@H]1CCCCO1)c1csc(-c2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide?
The InChIKey is LNOJIMKDFXRVTD-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c16-11-6-2-1-5-10(11)15-17-12(9-22-15)14(19)18-21-13-7-3-4-8-20-13/h1-2,5-6,9,13H,3-4,7-8H2,(H,18,19)/t13-/m1/s1.
What are the key properties of 2-(2-chlorophenyl)-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide?
2-(2-chlorophenyl)-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide has a molecular weight of 338.82 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 95174222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).