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

C11H17NO2S — CID 59718727

IUPAC2-methyl-1-(2-methyl-4-propan-2-yloxy-1,3-thiazol-5-yl)propan-1-one
SMILESCc1nc(OC(C)C)c(C(=O)C(C)C)s1
InChIInChI=1S/C11H17NO2S/c1-6(2)9(13)10-11(14-7(3)4)12-8(5)15-10/h6-7H,1-5H3
InChIKeyULNMODZRKKWCLQ-UHFFFAOYSA-N
MW227.33 g/mol
LogP3.08
Rot. Bonds4

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

2-methyl-1-(2-methyl-4-propan-2-yloxy-1,3-thiazol-5-yl)propan-1-one (PubChem CID 59718727) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-4-propan-2-yloxy-1,3-thiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-4-propan-2-yloxy-1,3-thiazol-5-yl)propan-1-one
PubChem CID59718727
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-methyl-1-(2-methyl-4-propan-2-yloxy-1,3-thiazol-5-yl)propan-1-one
SMILESCc1nc(OC(C)C)c(C(=O)C(C)C)s1
InChIInChI=1S/C11H17NO2S/c1-6(2)9(13)10-11(14-7(3)4)12-8(5)15-10/h6-7H,1-5H3
InChIKeyULNMODZRKKWCLQ-UHFFFAOYSA-N
XLogP3.08
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-methyl-4-propan-2-yloxy-1,3-thiazole-5-carboxylate
CID 57438572
1-(2-chloro-4-methyl-1,3-thiazol-5-yl)-2-methylpropan-1-one
CID 171593762
2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl chloride
CID 139754280
4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 68738197
(4-methoxy-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate
CID 68567857
1-[3-amino-5-(dimethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one
CID 103420277
2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid
CID 83884926
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 111422767
2,4-dimethyl-1,3-thiazole-5-carboxylic acid;ethane
CID 143933494
2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one
CID 170521186
1-[2-(4-amino-1,2-dihydrodiazet-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-one
CID 170582449
1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one
CID 160879816

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-4-propan-2-yloxy-1,3-thiazol-5-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(2-methyl-4-propan-2-yloxy-1,3-thiazol-5-yl)propan-1-one (CID 59718727) is 2-methyl-1-(2-methyl-4-propan-2-yloxy-1,3-thiazol-5-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(2-methyl-4-propan-2-yloxy-1,3-thiazol-5-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(2-methyl-4-propan-2-yloxy-1,3-thiazol-5-yl)propan-1-one is Cc1nc(OC(C)C)c(C(=O)C(C)C)s1.
What is the InChIKey of 2-methyl-1-(2-methyl-4-propan-2-yloxy-1,3-thiazol-5-yl)propan-1-one?
The InChIKey is ULNMODZRKKWCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-6(2)9(13)10-11(14-7(3)4)12-8(5)15-10/h6-7H,1-5H3.
What are the key properties of 2-methyl-1-(2-methyl-4-propan-2-yloxy-1,3-thiazol-5-yl)propan-1-one?
2-methyl-1-(2-methyl-4-propan-2-yloxy-1,3-thiazol-5-yl)propan-1-one has a molecular weight of 227.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-4-propan-2-yloxy-1,3-thiazol-5-yl)propan-1-one is sourced from PubChem (CID 59718727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).