1-[2-[(4-hydroxy-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone

C10H10N2O2S2 — CID 1482075

IUPAC1-[2-[(4-hydroxy-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(Cc2nc(O)cs2)nc1C
InChIInChI=1S/C10H10N2O2S2/c1-5-10(6(2)13)16-9(11-5)3-8-12-7(14)4-15-8/h4,14H,3H2,1-2H3
InChIKeyROAZFXIJEGKWGZ-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.41
Rot. Bonds3

About 1-[2-[(4-hydroxy-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone

1-[2-[(4-hydroxy-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 1482075) has the molecular formula C10H10N2O2S2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 1-[2-[(4-hydroxy-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(4-hydroxy-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID1482075
Molecular FormulaC10H10N2O2S2
Molecular Weight254.34 g/mol
Exact Mass254.02
IUPAC Name1-[2-[(4-hydroxy-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(Cc2nc(O)cs2)nc1C
InChIInChI=1S/C10H10N2O2S2/c1-5-10(6(2)13)16-9(11-5)3-8-12-7(14)4-15-8/h4,14H,3H2,1-2H3
InChIKeyROAZFXIJEGKWGZ-UHFFFAOYSA-N
XLogP2.41
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid
CID 62795474
1-[2-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 82121319
1-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 47302510
1-[2-(cyclohexylsulfonylmethyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 82426488
ethyl 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 15642023
1-[4-methyl-2-[(4-methylanilino)methyl]-1,3-thiazol-5-yl]ethanone
CID 82121482
1-[2-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 94284215
1-(2-bromo-4-methyl-1,3-thiazol-5-yl)ethanone
CID 66644881
5-acetyl-4-methyl-1,3-thiazole-2-carboxylic acid
CID 130676708
1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanone
CID 103476002
2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 14222582
1-[2-(1-benzothiophen-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62699422

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-hydroxy-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[(4-hydroxy-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone (CID 1482075) is 1-[2-[(4-hydroxy-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[(4-hydroxy-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[(4-hydroxy-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(Cc2nc(O)cs2)nc1C.
What is the InChIKey of 1-[2-[(4-hydroxy-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is ROAZFXIJEGKWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S2/c1-5-10(6(2)13)16-9(11-5)3-8-12-7(14)4-15-8/h4,14H,3H2,1-2H3.
What are the key properties of 1-[2-[(4-hydroxy-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-[(4-hydroxy-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 254.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-hydroxy-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 1482075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).