2-methyl-1-[5-(2-methylpropyl)-1,2-thiazol-3-yl]propan-1-one

C11H17NOS — CID 58357258

IUPAC2-methyl-1-[5-(2-methylpropyl)-1,2-thiazol-3-yl]propan-1-one
SMILESCC(C)Cc1cc(C(=O)C(C)C)ns1
InChIInChI=1S/C11H17NOS/c1-7(2)5-9-6-10(12-14-9)11(13)8(3)4/h6-8H,5H2,1-4H3
InChIKeyQXZAAHXRGDPDMX-UHFFFAOYSA-N
MW211.33 g/mol
LogP3.18
Rot. Bonds4

About 2-methyl-1-[5-(2-methylpropyl)-1,2-thiazol-3-yl]propan-1-one

2-methyl-1-[5-(2-methylpropyl)-1,2-thiazol-3-yl]propan-1-one (PubChem CID 58357258) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-methyl-1-[5-(2-methylpropyl)-1,2-thiazol-3-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[5-(2-methylpropyl)-1,2-thiazol-3-yl]propan-1-one
PubChem CID58357258
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-methyl-1-[5-(2-methylpropyl)-1,2-thiazol-3-yl]propan-1-one
SMILESCC(C)Cc1cc(C(=O)C(C)C)ns1
InChIInChI=1S/C11H17NOS/c1-7(2)5-9-6-10(12-14-9)11(13)8(3)4/h6-8H,5H2,1-4H3
InChIKeyQXZAAHXRGDPDMX-UHFFFAOYSA-N
XLogP3.18
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[5-(2-methylpropyl)-1,2-thiazol-3-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[5-(2-methylpropyl)-1,2-thiazol-3-yl]propan-1-one (CID 58357258) is 2-methyl-1-[5-(2-methylpropyl)-1,2-thiazol-3-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[5-(2-methylpropyl)-1,2-thiazol-3-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[5-(2-methylpropyl)-1,2-thiazol-3-yl]propan-1-one is CC(C)Cc1cc(C(=O)C(C)C)ns1.
What is the InChIKey of 2-methyl-1-[5-(2-methylpropyl)-1,2-thiazol-3-yl]propan-1-one?
The InChIKey is QXZAAHXRGDPDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-7(2)5-9-6-10(12-14-9)11(13)8(3)4/h6-8H,5H2,1-4H3.
What are the key properties of 2-methyl-1-[5-(2-methylpropyl)-1,2-thiazol-3-yl]propan-1-one?
2-methyl-1-[5-(2-methylpropyl)-1,2-thiazol-3-yl]propan-1-one has a molecular weight of 211.33 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[5-(2-methylpropyl)-1,2-thiazol-3-yl]propan-1-one is sourced from PubChem (CID 58357258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).