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

C7H9NOS — CID 130960455

IUPAC2-methyl-1-(1,2-thiazol-5-yl)propan-1-one
SMILESCC(C)C(=O)c1ccns1
InChIInChI=1S/C7H9NOS/c1-5(2)7(9)6-3-4-8-10-6/h3-5H,1-2H3
InChIKeyUZKSRQPSMWIGQT-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.98
Rot. Bonds2

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

2-methyl-1-(1,2-thiazol-5-yl)propan-1-one (PubChem CID 130960455) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 2-methyl-1-(1,2-thiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(1,2-thiazol-5-yl)propan-1-one
PubChem CID130960455
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name2-methyl-1-(1,2-thiazol-5-yl)propan-1-one
SMILESCC(C)C(=O)c1ccns1
InChIInChI=1S/C7H9NOS/c1-5(2)7(9)6-3-4-8-10-6/h3-5H,1-2H3
InChIKeyUZKSRQPSMWIGQT-UHFFFAOYSA-N
XLogP1.98
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1,2-thiazol-5-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(1,2-thiazol-5-yl)propan-1-one (CID 130960455) is 2-methyl-1-(1,2-thiazol-5-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(1,2-thiazol-5-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(1,2-thiazol-5-yl)propan-1-one is CC(C)C(=O)c1ccns1.
What is the InChIKey of 2-methyl-1-(1,2-thiazol-5-yl)propan-1-one?
The InChIKey is UZKSRQPSMWIGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-5(2)7(9)6-3-4-8-10-6/h3-5H,1-2H3.
What are the key properties of 2-methyl-1-(1,2-thiazol-5-yl)propan-1-one?
2-methyl-1-(1,2-thiazol-5-yl)propan-1-one has a molecular weight of 155.22 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,2-thiazol-5-yl)propan-1-one is sourced from PubChem (CID 130960455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).