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

C7H9NOS — CID 20560352

IUPAC1-(4-methyl-1,3-thiazol-2-yl)propan-1-one
SMILESCCC(=O)c1nc(C)cs1
InChIInChI=1S/C7H9NOS/c1-3-6(9)7-8-5(2)4-10-7/h4H,3H2,1-2H3
InChIKeyUKIXHMCTJKJFEA-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.04
Rot. Bonds2

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

1-(4-methyl-1,3-thiazol-2-yl)propan-1-one (PubChem CID 20560352) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)propan-1-one
PubChem CID20560352
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)propan-1-one
SMILESCCC(=O)c1nc(C)cs1
InChIInChI=1S/C7H9NOS/c1-3-6(9)7-8-5(2)4-10-7/h4H,3H2,1-2H3
InChIKeyUKIXHMCTJKJFEA-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)propan-1-one (CID 20560352) is 1-(4-methyl-1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)propan-1-one is CCC(=O)c1nc(C)cs1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)propan-1-one?
The InChIKey is UKIXHMCTJKJFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-3-6(9)7-8-5(2)4-10-7/h4H,3H2,1-2H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)propan-1-one?
1-(4-methyl-1,3-thiazol-2-yl)propan-1-one has a molecular weight of 155.22 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 20560352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).