4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-one

C10H15NO2S — CID 103023379

IUPAC4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-one
SMILESCOC(C)(C)CC(=O)Cc1nccs1
InChIInChI=1S/C10H15NO2S/c1-10(2,13-3)7-8(12)6-9-11-4-5-14-9/h4-5H,6-7H2,1-3H3
InChIKeyDOPCEKAOKLCSLC-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.07
Rot. Bonds5

About 4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-one

4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-one (PubChem CID 103023379) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-one.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-one
PubChem CID103023379
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-one
SMILESCOC(C)(C)CC(=O)Cc1nccs1
InChIInChI=1S/C10H15NO2S/c1-10(2,13-3)7-8(12)6-9-11-4-5-14-9/h4-5H,6-7H2,1-3H3
InChIKeyDOPCEKAOKLCSLC-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-Dimethyl-1-(1,3-thiazol-2-yl)butan-2-one
CID 13597314
1-(1,3-Thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-one
CID 103146959
4-(2,2-Difluoroethoxy)-1-(1,3-thiazol-2-yl)butan-2-one
CID 103147287
Methyl 3-oxo-5-(1,3-thiazole-2-yl)pentanoate
CID 12112919
4-Methyl-1-(1,3-thiazol-2-yl)pentan-3-one
CID 22573113
2-Methyl-1-(1,3-thiazol-2-yl)pentan-3-one
CID 57324702
4-Methyl-1-(1,3-thiazol-2-yl)pentan-2-one
CID 58207708
1-(1,3-Thiazol-2-yl)pentan-3-one
CID 58326627
3-Methyl-1-(1,3-thiazol-2-yl)butan-2-one
CID 59832905
3-(1,3-Thiazol-2-yl)pentan-2-one
CID 63196421
Methyl 4-(1,3-thiazol-2-yl)butanoate
CID 112756525
[2-Methyl-3-oxo-4-(1,3-thiazol-2-yl)butyl] methanesulfonate
CID 123792142

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-one?
The IUPAC name of 4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-one (CID 103023379) is 4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-one.
What is the SMILES notation for 4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-one?
The canonical SMILES for 4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-one is COC(C)(C)CC(=O)Cc1nccs1.
What is the InChIKey of 4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-one?
The InChIKey is DOPCEKAOKLCSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-10(2,13-3)7-8(12)6-9-11-4-5-14-9/h4-5H,6-7H2,1-3H3.
What are the key properties of 4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-one?
4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-one has a molecular weight of 213.30 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-one is sourced from PubChem (CID 103023379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).