2-(dimethylamino)-1-(1,2-thiazol-5-yl)ethanone

C7H10N2OS — CID 130917841

IUPAC2-(dimethylamino)-1-(1,2-thiazol-5-yl)ethanone
SMILESCN(C)CC(=O)c1ccns1
InChIInChI=1S/C7H10N2OS/c1-9(2)5-6(10)7-3-4-8-11-7/h3-4H,5H2,1-2H3
InChIKeyTXBCMASSRZYKKI-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.89
Rot. Bonds3

About 2-(dimethylamino)-1-(1,2-thiazol-5-yl)ethanone

2-(dimethylamino)-1-(1,2-thiazol-5-yl)ethanone (PubChem CID 130917841) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(1,2-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(1,2-thiazol-5-yl)ethanone
PubChem CID130917841
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name2-(dimethylamino)-1-(1,2-thiazol-5-yl)ethanone
SMILESCN(C)CC(=O)c1ccns1
InChIInChI=1S/C7H10N2OS/c1-9(2)5-6(10)7-3-4-8-11-7/h3-4H,5H2,1-2H3
InChIKeyTXBCMASSRZYKKI-UHFFFAOYSA-N
XLogP0.89
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(1,2-thiazol-5-yl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(1,2-thiazol-5-yl)ethanone (CID 130917841) is 2-(dimethylamino)-1-(1,2-thiazol-5-yl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(1,2-thiazol-5-yl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(1,2-thiazol-5-yl)ethanone is CN(C)CC(=O)c1ccns1.
What is the InChIKey of 2-(dimethylamino)-1-(1,2-thiazol-5-yl)ethanone?
The InChIKey is TXBCMASSRZYKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-9(2)5-6(10)7-3-4-8-11-7/h3-4H,5H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-(1,2-thiazol-5-yl)ethanone?
2-(dimethylamino)-1-(1,2-thiazol-5-yl)ethanone has a molecular weight of 170.24 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(1,2-thiazol-5-yl)ethanone is sourced from PubChem (CID 130917841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).