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

C10H15NO2S — CID 79567146

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-yloxypropan-2-one
SMILESCc1csc(CC(=O)COC(C)C)n1
InChIInChI=1S/C10H15NO2S/c1-7(2)13-5-9(12)4-10-11-8(3)6-14-10/h6-7H,4-5H2,1-3H3
InChIKeyXDTVZRDKGYKBNB-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.99
Rot. Bonds5

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

1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-yloxypropan-2-one (PubChem CID 79567146) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-yloxypropan-2-one.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-yloxypropan-2-one
PubChem CID79567146
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-yloxypropan-2-one
SMILESCc1csc(CC(=O)COC(C)C)n1
InChIInChI=1S/C10H15NO2S/c1-7(2)13-5-9(12)4-10-11-8(3)6-14-10/h6-7H,4-5H2,1-3H3
InChIKeyXDTVZRDKGYKBNB-UHFFFAOYSA-N
XLogP1.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-yloxy-3-(1,3-thiazol-2-yl)propan-2-one
CID 105118060
CID 131842856
CID 131842856
4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
CID 82919513
1-(4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 62794962
3-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
CID 116552853
1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one
CID 62795656
1-(2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797378
4-amino-1-(4-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one
CID 116553119
1-(2-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797036
4-(tert-butylamino)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-one
CID 116558009
5-(methylamino)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one
CID 116555711
1-(2,6-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62795300

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-yloxypropan-2-one?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-yloxypropan-2-one (CID 79567146) is 1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-yloxypropan-2-one.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-yloxypropan-2-one?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-yloxypropan-2-one is Cc1csc(CC(=O)COC(C)C)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-yloxypropan-2-one?
The InChIKey is XDTVZRDKGYKBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-7(2)13-5-9(12)4-10-11-8(3)6-14-10/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-yloxypropan-2-one?
1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-yloxypropan-2-one has a molecular weight of 213.30 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-yloxypropan-2-one is sourced from PubChem (CID 79567146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).