2-cyclopropyl-1-(1,2-thiazol-3-yl)propan-1-one

C9H11NOS — CID 130682365

IUPAC2-cyclopropyl-1-(1,2-thiazol-3-yl)propan-1-one
SMILESCC(C(=O)c1ccsn1)C1CC1
InChIInChI=1S/C9H11NOS/c1-6(7-2-3-7)9(11)8-4-5-12-10-8/h4-7H,2-3H2,1H3
InChIKeyFIYYRPZVRRGWRK-UHFFFAOYSA-N
MW181.26 g/mol
LogP2.37
Rot. Bonds3

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

2-cyclopropyl-1-(1,2-thiazol-3-yl)propan-1-one (PubChem CID 130682365) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-cyclopropyl-1-(1,2-thiazol-3-yl)propan-1-one.

Molecular Properties

Compound Name2-cyclopropyl-1-(1,2-thiazol-3-yl)propan-1-one
PubChem CID130682365
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name2-cyclopropyl-1-(1,2-thiazol-3-yl)propan-1-one
SMILESCC(C(=O)c1ccsn1)C1CC1
InChIInChI=1S/C9H11NOS/c1-6(7-2-3-7)9(11)8-4-5-12-10-8/h4-7H,2-3H2,1H3
InChIKeyFIYYRPZVRRGWRK-UHFFFAOYSA-N
XLogP2.37
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(1,2-thiazol-3-yl)propan-1-one?
The IUPAC name of 2-cyclopropyl-1-(1,2-thiazol-3-yl)propan-1-one (CID 130682365) is 2-cyclopropyl-1-(1,2-thiazol-3-yl)propan-1-one.
What is the SMILES notation for 2-cyclopropyl-1-(1,2-thiazol-3-yl)propan-1-one?
The canonical SMILES for 2-cyclopropyl-1-(1,2-thiazol-3-yl)propan-1-one is CC(C(=O)c1ccsn1)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(1,2-thiazol-3-yl)propan-1-one?
The InChIKey is FIYYRPZVRRGWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-6(7-2-3-7)9(11)8-4-5-12-10-8/h4-7H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-1-(1,2-thiazol-3-yl)propan-1-one?
2-cyclopropyl-1-(1,2-thiazol-3-yl)propan-1-one has a molecular weight of 181.26 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(1,2-thiazol-3-yl)propan-1-one is sourced from PubChem (CID 130682365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).