2-(2-methoxypropan-2-yl)-1,3-thiazole;1-(1,3-thiazol-2-yl)ethanone

C12H16N2O2S2 — CID 160500283

IUPAC2-(2-methoxypropan-2-yl)-1,3-thiazole;1-(1,3-thiazol-2-yl)ethanone
SMILESCC(=O)c1nccs1.COC(C)(C)c1nccs1
InChIInChI=1S/C7H11NOS.C5H5NOS/c1-7(2,9-3)6-8-4-5-10-6;1-4(7)5-6-2-3-8-5/h4-5H,1-3H3;2-3H,1H3
InChIKeyQRRRFXIAUBCWAJ-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.37
Rot. Bonds3

About 2-(2-methoxypropan-2-yl)-1,3-thiazole;1-(1,3-thiazol-2-yl)ethanone

2-(2-methoxypropan-2-yl)-1,3-thiazole;1-(1,3-thiazol-2-yl)ethanone (PubChem CID 160500283) has the molecular formula C12H16N2O2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-(2-methoxypropan-2-yl)-1,3-thiazole;1-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxypropan-2-yl)-1,3-thiazole;1-(1,3-thiazol-2-yl)ethanone
PubChem CID160500283
Molecular FormulaC12H16N2O2S2
Molecular Weight284.41 g/mol
Exact Mass284.07
IUPAC Name2-(2-methoxypropan-2-yl)-1,3-thiazole;1-(1,3-thiazol-2-yl)ethanone
SMILESCC(=O)c1nccs1.COC(C)(C)c1nccs1
InChIInChI=1S/C7H11NOS.C5H5NOS/c1-7(2,9-3)6-8-4-5-10-6;1-4(7)5-6-2-3-8-5/h4-5H,1-3H3;2-3H,1H3
InChIKeyQRRRFXIAUBCWAJ-UHFFFAOYSA-N
XLogP3.37
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate
CID 116987083
CID 69459233
CID 69459233
methyl 3-amino-3-(1,3-thiazol-2-yl)butanoate
CID 79848838
(2R)-2-amino-2-(1,3-thiazol-2-yl)propanoic acid
CID 66644727
methyl 2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoate
CID 64990980
methyl 2-(cyclopentylamino)-2-(1,3-thiazol-2-yl)propanoate
CID 64991150
methyl 4-[2-(1,3-thiazol-2-yl)propan-2-yl]benzoate
CID 67257411
methyl 2-(cyclohexylamino)-2-(1,3-thiazol-2-yl)propanoate
CID 64991251
methyl 2-(prop-2-enylamino)-2-(1,3-thiazol-2-yl)propanoate
CID 64990575
2,2-difluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid
CID 64990931
2-(1,1-dihydroxyethylamino)-1-(1,3-thiazol-2-yl)propan-1-one
CID 140598896
2-fluoro-3,3,5,5-tetramethyl-1-(1,3-thiazol-2-yl)hexan-1-one
CID 129233521

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropan-2-yl)-1,3-thiazole;1-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 2-(2-methoxypropan-2-yl)-1,3-thiazole;1-(1,3-thiazol-2-yl)ethanone (CID 160500283) is 2-(2-methoxypropan-2-yl)-1,3-thiazole;1-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 2-(2-methoxypropan-2-yl)-1,3-thiazole;1-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 2-(2-methoxypropan-2-yl)-1,3-thiazole;1-(1,3-thiazol-2-yl)ethanone is CC(=O)c1nccs1.COC(C)(C)c1nccs1.
What is the InChIKey of 2-(2-methoxypropan-2-yl)-1,3-thiazole;1-(1,3-thiazol-2-yl)ethanone?
The InChIKey is QRRRFXIAUBCWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS.C5H5NOS/c1-7(2,9-3)6-8-4-5-10-6;1-4(7)5-6-2-3-8-5/h4-5H,1-3H3;2-3H,1H3.
What are the key properties of 2-(2-methoxypropan-2-yl)-1,3-thiazole;1-(1,3-thiazol-2-yl)ethanone?
2-(2-methoxypropan-2-yl)-1,3-thiazole;1-(1,3-thiazol-2-yl)ethanone has a molecular weight of 284.41 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropan-2-yl)-1,3-thiazole;1-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 160500283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).