1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanone

C14H13NO2S — CID 65404995

IUPAC1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(C2COc3ccccc3C2)n1
InChIInChI=1S/C14H13NO2S/c1-9(16)12-8-18-14(15-12)11-6-10-4-2-3-5-13(10)17-7-11/h2-5,8,11H,6-7H2,1H3
InChIKeyIFQJPYTZLQPCPJ-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.06
Rot. Bonds2

About 1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanone

1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanone (PubChem CID 65404995) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanone
PubChem CID65404995
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(C2COc3ccccc3C2)n1
InChIInChI=1S/C14H13NO2S/c1-9(16)12-8-18-14(15-12)11-6-10-4-2-3-5-13(10)17-7-11/h2-5,8,11H,6-7H2,1H3
InChIKeyIFQJPYTZLQPCPJ-UHFFFAOYSA-N
XLogP3.06
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanol
CID 65404041
N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47121329
2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazole-5-carboxylic acid
CID 65408477
[(3S)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95778814
2-(3,4-dihydro-2H-chromen-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 65406177
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 17491569
(3S)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51885464
ethyl 2-amino-4-(3,4-dihydro-2H-chromen-3-yl)thiophene-3-carboxylate
CID 139391406
5-bromo-3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-thiadiazole
CID 102618251
3,4-dihydro-2H-chromen-3-yl-(3-methylthiophen-2-yl)methanone
CID 79991091
(3R)-N-(4-acetyl-1,3-thiazol-2-yl)-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
CID 94450034

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanone (CID 65404995) is 1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(C2COc3ccccc3C2)n1.
What is the InChIKey of 1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is IFQJPYTZLQPCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-9(16)12-8-18-14(15-12)11-6-10-4-2-3-5-13(10)17-7-11/h2-5,8,11H,6-7H2,1H3.
What are the key properties of 1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanone?
1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 259.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 65404995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).