2-chloro-1-[2-(methylamino)-1,3-thiazol-5-yl]ethanone

C6H7ClN2OS — CID 13134166

IUPAC2-chloro-1-[2-(methylamino)-1,3-thiazol-5-yl]ethanone
SMILESCNc1ncc(C(=O)CCl)s1
InChIInChI=1S/C6H7ClN2OS/c1-8-6-9-3-5(11-6)4(10)2-7/h3H,2H2,1H3,(H,8,9)
InChIKeyLKTXCACUMNQVTD-UHFFFAOYSA-N
MW190.66 g/mol
LogP1.61
Rot. Bonds3

About 2-chloro-1-[2-(methylamino)-1,3-thiazol-5-yl]ethanone

2-chloro-1-[2-(methylamino)-1,3-thiazol-5-yl]ethanone (PubChem CID 13134166) has the molecular formula C6H7ClN2OS and a molecular weight of 190.66 g/mol. Its IUPAC name is 2-chloro-1-[2-(methylamino)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[2-(methylamino)-1,3-thiazol-5-yl]ethanone
PubChem CID13134166
Molecular FormulaC6H7ClN2OS
Molecular Weight190.66 g/mol
Exact Mass190.00
IUPAC Name2-chloro-1-[2-(methylamino)-1,3-thiazol-5-yl]ethanone
SMILESCNc1ncc(C(=O)CCl)s1
InChIInChI=1S/C6H7ClN2OS/c1-8-6-9-3-5(11-6)4(10)2-7/h3H,2H2,1H3,(H,8,9)
InChIKeyLKTXCACUMNQVTD-UHFFFAOYSA-N
XLogP1.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.66
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[2-(Dimethylamino)-1,3-thiazol-5-yl]ethanone
CID 822439
1-(2-Amino-1,3-thiazol-5-yl)ethan-1-one
CID 13130946
2-Chloro-1-(2-(piperidin-1-yl)thiazol-5-yl)ethanone
CID 2512693
1-(2-Amino-1,3-thiazol-5-yl)ethan-1-one hydrochloride
CID 54594116
1-(2-(Methylamino)thiazol-5-yl)ethanone
CID 1485905
2-Chloro-3-[2-(dimethylamino)-1,3-thiazol-5-yl]-3-oxopropanenitrile
CID 12742086
2-chloro-N-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]acetamide
CID 166431921
(2E)-3-(dimethylamino)-1-[2-(methylamino)-1,3-thiazol-5-yl]prop-2-en-1-one
CID 1471412
1-(2-Aminothiazol-5-yl)ethanone hydrobromide
CID 13130947
1-(2-Isocyanato-1,3-thiazol-5-yl)ethanone
CID 23062242
N-(5-acetyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
CID 25130143
Ethanone, 1-(2-amino-5-thiazolyl)-2-chloro-
CID 45120169

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[2-(methylamino)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 2-chloro-1-[2-(methylamino)-1,3-thiazol-5-yl]ethanone (CID 13134166) is 2-chloro-1-[2-(methylamino)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[2-(methylamino)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 2-chloro-1-[2-(methylamino)-1,3-thiazol-5-yl]ethanone is CNc1ncc(C(=O)CCl)s1.
What is the InChIKey of 2-chloro-1-[2-(methylamino)-1,3-thiazol-5-yl]ethanone?
The InChIKey is LKTXCACUMNQVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2OS/c1-8-6-9-3-5(11-6)4(10)2-7/h3H,2H2,1H3,(H,8,9).
What are the key properties of 2-chloro-1-[2-(methylamino)-1,3-thiazol-5-yl]ethanone?
2-chloro-1-[2-(methylamino)-1,3-thiazol-5-yl]ethanone has a molecular weight of 190.66 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[2-(methylamino)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 13134166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).