2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-1-phenylethanone

C16H19NO2S — CID 116727506

IUPAC2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-1-phenylethanone
SMILESCCCC(OC)c1nc(CC(=O)c2ccccc2)cs1
InChIInChI=1S/C16H19NO2S/c1-3-7-15(19-2)16-17-13(11-20-16)10-14(18)12-8-5-4-6-9-12/h4-6,8-9,11,15H,3,7,10H2,1-2H3
InChIKeyYHZSYEWYUUPJEF-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.06
Rot. Bonds7

About 2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-1-phenylethanone

2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-1-phenylethanone (PubChem CID 116727506) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-1-phenylethanone
PubChem CID116727506
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-1-phenylethanone
SMILESCCCC(OC)c1nc(CC(=O)c2ccccc2)cs1
InChIInChI=1S/C16H19NO2S/c1-3-7-15(19-2)16-17-13(11-20-16)10-14(18)12-8-5-4-6-9-12/h4-6,8-9,11,15H,3,7,10H2,1-2H3
InChIKeyYHZSYEWYUUPJEF-UHFFFAOYSA-N
XLogP4.06
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 116633076
2-(1-methoxybutyl)-4-propyl-1,3-thiazole
CID 116734629
2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine
CID 116727740
4-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]benzoic acid
CID 116732286
2-(4-ethyl-1,3-thiazol-2-yl)-1-phenylethanone
CID 63199105
2-[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone
CID 62756542
methyl 2-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]acetate
CID 116744555
2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]acetic acid
CID 116705225
2-[2-[cyclopropylmethyl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone
CID 62751139
2-[2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 65137284
3-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one
CID 116708071
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 62366878

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-1-phenylethanone?
The IUPAC name of 2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-1-phenylethanone (CID 116727506) is 2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-1-phenylethanone.
What is the SMILES notation for 2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-1-phenylethanone?
The canonical SMILES for 2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-1-phenylethanone is CCCC(OC)c1nc(CC(=O)c2ccccc2)cs1.
What is the InChIKey of 2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-1-phenylethanone?
The InChIKey is YHZSYEWYUUPJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-3-7-15(19-2)16-17-13(11-20-16)10-14(18)12-8-5-4-6-9-12/h4-6,8-9,11,15H,3,7,10H2,1-2H3.
What are the key properties of 2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-1-phenylethanone?
2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-1-phenylethanone has a molecular weight of 289.40 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-1-phenylethanone is sourced from PubChem (CID 116727506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).