N-(4-acetyl-1,3-thiazol-2-yl)oxane-4-carboxamide

C11H14N2O3S — CID 30472924

IUPACN-(4-acetyl-1,3-thiazol-2-yl)oxane-4-carboxamide
SMILESCC(=O)c1csc(NC(=O)C2CCOCC2)n1
InChIInChI=1S/C11H14N2O3S/c1-7(14)9-6-17-11(12-9)13-10(15)8-2-4-16-5-3-8/h6,8H,2-5H2,1H3,(H,12,13,15)
InChIKeyRCVWHMXDMAALHN-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.71
Rot. Bonds3

About N-(4-acetyl-1,3-thiazol-2-yl)oxane-4-carboxamide

N-(4-acetyl-1,3-thiazol-2-yl)oxane-4-carboxamide (PubChem CID 30472924) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)oxane-4-carboxamide
PubChem CID30472924
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)oxane-4-carboxamide
SMILESCC(=O)c1csc(NC(=O)C2CCOCC2)n1
InChIInChI=1S/C11H14N2O3S/c1-7(14)9-6-17-11(12-9)13-10(15)8-2-4-16-5-3-8/h6,8H,2-5H2,1H3,(H,12,13,15)
InChIKeyRCVWHMXDMAALHN-UHFFFAOYSA-N
XLogP1.71
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-2-aminocyclopentane-1-carboxamide
CID 64852630
(3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)oxolane-3-carboxamide
CID 94211482
N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38969415
methyl 4-[2-(oxane-4-carbonylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 30710746
N-(4-acetyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide
CID 115681438
N-(4-acetyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide
CID 60717010
N-(4-acetyl-1,3-thiazol-2-yl)-3-cyclohexylpropanamide
CID 24634046
N-(4-acetyl-1,3-thiazol-2-yl)-3-aminooxolane-3-carboxamide
CID 64892642
3-(4-acetyl-1,3-thiazol-2-yl)-1,1-dimethylurea
CID 79153632
(3R)-N-(4-acetyl-1,3-thiazol-2-yl)-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
CID 94450034
N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47121329
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 51189301

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)oxane-4-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)oxane-4-carboxamide (CID 30472924) is N-(4-acetyl-1,3-thiazol-2-yl)oxane-4-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)oxane-4-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)oxane-4-carboxamide is CC(=O)c1csc(NC(=O)C2CCOCC2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)oxane-4-carboxamide?
The InChIKey is RCVWHMXDMAALHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-7(14)9-6-17-11(12-9)13-10(15)8-2-4-16-5-3-8/h6,8H,2-5H2,1H3,(H,12,13,15).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)oxane-4-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)oxane-4-carboxamide has a molecular weight of 254.31 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 30472924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).