3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)chromen-4-one

C16H15NO2S — CID 102104373

IUPAC3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)chromen-4-one
SMILESCc1nc(C(C)C)sc1-c1coc2ccccc2c1=O
InChIInChI=1S/C16H15NO2S/c1-9(2)16-17-10(3)15(20-16)12-8-19-13-7-5-4-6-11(13)14(12)18/h4-9H,1-3H3
InChIKeyVWRRVCPQAYQGLX-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.35
Rot. Bonds2

About 3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)chromen-4-one

3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)chromen-4-one (PubChem CID 102104373) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)chromen-4-one.

Molecular Properties

Compound Name3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)chromen-4-one
PubChem CID102104373
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)chromen-4-one
SMILESCc1nc(C(C)C)sc1-c1coc2ccccc2c1=O
InChIInChI=1S/C16H15NO2S/c1-9(2)16-17-10(3)15(20-16)12-8-19-13-7-5-4-6-11(13)14(12)18/h4-9H,1-3H3
InChIKeyVWRRVCPQAYQGLX-UHFFFAOYSA-N
XLogP4.35
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methyl-1-benzothiophen-2-yl)chromen-4-one
CID 102104380
ethane;3-phenylchromen-4-one
CID 90946880
3-(7-methyl-1H-indol-3-yl)chromen-4-one
CID 56703327
3-phenylchromen-4-one;phosphane
CID 174413449
3-(2-chloro-5-methylphenyl)chromen-4-one
CID 141334254
2-(1-benzofuran-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 116887739
methyl 5-(1-benzofuran-3-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 106510668
4-(1-benzofuran-3-yl)-5-methyl-1,3-thiazole-2-carbaldehyde
CID 116867313
3-furo[3,2-c]pyridin-4-ylchromen-4-one
CID 39826562
3-(4-oxochromen-3-yl)isochromen-1-one
CID 166523801
3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one
CID 10804003
3-(2,5-difluorophenyl)chromen-4-one
CID 141334280

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)chromen-4-one?
The IUPAC name of 3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)chromen-4-one (CID 102104373) is 3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)chromen-4-one.
What is the SMILES notation for 3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)chromen-4-one?
The canonical SMILES for 3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)chromen-4-one is Cc1nc(C(C)C)sc1-c1coc2ccccc2c1=O.
What is the InChIKey of 3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)chromen-4-one?
The InChIKey is VWRRVCPQAYQGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-9(2)16-17-10(3)15(20-16)12-8-19-13-7-5-4-6-11(13)14(12)18/h4-9H,1-3H3.
What are the key properties of 3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)chromen-4-one?
3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)chromen-4-one has a molecular weight of 285.37 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)chromen-4-one is sourced from PubChem (CID 102104373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).