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

C8H11NOS — CID 22966972

IUPAC2-methyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one
SMILESCc1nc(C(=O)C(C)C)cs1
InChIInChI=1S/C8H11NOS/c1-5(2)8(10)7-4-11-6(3)9-7/h4-5H,1-3H3
InChIKeyUEXAUNKZNHOREB-UHFFFAOYSA-N
MW169.25 g/mol
LogP2.29
Rot. Bonds2

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

2-methyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one (PubChem CID 22966972) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one
PubChem CID22966972
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name2-methyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one
SMILESCc1nc(C(=O)C(C)C)cs1
InChIInChI=1S/C8H11NOS/c1-5(2)8(10)7-4-11-6(3)9-7/h4-5H,1-3H3
InChIKeyUEXAUNKZNHOREB-UHFFFAOYSA-N
XLogP2.29
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one (CID 22966972) is 2-methyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one is Cc1nc(C(=O)C(C)C)cs1.
What is the InChIKey of 2-methyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one?
The InChIKey is UEXAUNKZNHOREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-5(2)8(10)7-4-11-6(3)9-7/h4-5H,1-3H3.
What are the key properties of 2-methyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one?
2-methyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one has a molecular weight of 169.25 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one is sourced from PubChem (CID 22966972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).