2-acetyl-N-[2-(oxan-3-yl)ethyl]-1,3-thiazole-5-carboxamide

C13H18N2O3S — CID 122561636

IUPAC2-acetyl-N-[2-(oxan-3-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)c1ncc(C(=O)NCCC2CCCOC2)s1
InChIInChI=1S/C13H18N2O3S/c1-9(16)13-15-7-11(19-13)12(17)14-5-4-10-3-2-6-18-8-10/h7,10H,2-6,8H2,1H3,(H,14,17)
InChIKeyVVBLFLKRKXQYRL-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.89
Rot. Bonds5

About 2-acetyl-N-[2-(oxan-3-yl)ethyl]-1,3-thiazole-5-carboxamide

2-acetyl-N-[2-(oxan-3-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 122561636) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-acetyl-N-[2-(oxan-3-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-acetyl-N-[2-(oxan-3-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID122561636
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name2-acetyl-N-[2-(oxan-3-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)c1ncc(C(=O)NCCC2CCCOC2)s1
InChIInChI=1S/C13H18N2O3S/c1-9(16)13-15-7-11(19-13)12(17)14-5-4-10-3-2-6-18-8-10/h7,10H,2-6,8H2,1H3,(H,14,17)
InChIKeyVVBLFLKRKXQYRL-UHFFFAOYSA-N
XLogP1.89
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(oxolan-3-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid
CID 114267590
5-chloro-N-[2-(oxolan-3-yl)ethyl]thiophene-2-carboxamide
CID 91776294
1'-ethyl-N-[2-(oxan-3-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide
CID 170508642
N-(oxan-3-ylmethyl)thiadiazole-5-carboxamide
CID 47314647
N-[2-(oxan-3-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 122561785
N-[2-[(3R)-oxan-3-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 125434835
N-[2-[(3S)-oxan-3-yl]ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 125441800
4-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide
CID 95874324
7-methyl-N-[2-[(3R)-oxan-3-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 126450640
5-chloro-N-(oxan-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625385
1-[2-(oxan-3-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
CID 115091092
3-[2-[2-(oxan-3-yl)ethylamino]-2-oxoethyl]benzoic acid
CID 136556483

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-[2-(oxan-3-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-acetyl-N-[2-(oxan-3-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 122561636) is 2-acetyl-N-[2-(oxan-3-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-acetyl-N-[2-(oxan-3-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-acetyl-N-[2-(oxan-3-yl)ethyl]-1,3-thiazole-5-carboxamide is CC(=O)c1ncc(C(=O)NCCC2CCCOC2)s1.
What is the InChIKey of 2-acetyl-N-[2-(oxan-3-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is VVBLFLKRKXQYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-9(16)13-15-7-11(19-13)12(17)14-5-4-10-3-2-6-18-8-10/h7,10H,2-6,8H2,1H3,(H,14,17).
What are the key properties of 2-acetyl-N-[2-(oxan-3-yl)ethyl]-1,3-thiazole-5-carboxamide?
2-acetyl-N-[2-(oxan-3-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 282.36 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-[2-(oxan-3-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122561636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).