1-(1-methylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone

C9H11NOS — CID 112642434

IUPAC1-(1-methylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone
SMILESCC1(C(=O)Cc2cncs2)CC1
InChIInChI=1S/C9H11NOS/c1-9(2-3-9)8(11)4-7-5-10-6-12-7/h5-6H,2-4H2,1H3
InChIKeyNLOXRMKMVIEDHH-UHFFFAOYSA-N
MW181.26 g/mol
LogP2.05
Rot. Bonds3

About 1-(1-methylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone

1-(1-methylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 112642434) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 1-(1-methylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1-methylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone
PubChem CID112642434
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name1-(1-methylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone
SMILESCC1(C(=O)Cc2cncs2)CC1
InChIInChI=1S/C9H11NOS/c1-9(2-3-9)8(11)4-7-5-10-6-12-7/h5-6H,2-4H2,1H3
InChIKeyNLOXRMKMVIEDHH-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(1-methylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone (CID 112642434) is 1-(1-methylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(1-methylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(1-methylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone is CC1(C(=O)Cc2cncs2)CC1.
What is the InChIKey of 1-(1-methylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is NLOXRMKMVIEDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-9(2-3-9)8(11)4-7-5-10-6-12-7/h5-6H,2-4H2,1H3.
What are the key properties of 1-(1-methylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone?
1-(1-methylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 181.26 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 112642434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).