1-(2-amino-1,3-thiazol-5-yl)-2-chloroethanone

C5H5ClN2OS — CID 45120169

IUPAC1-(2-amino-1,3-thiazol-5-yl)-2-chloroethanone
SMILESNc1ncc(C(=O)CCl)s1
InChIInChI=1S/C5H5ClN2OS/c6-1-3(9)4-2-8-5(7)10-4/h2H,1H2,(H2,7,8)
InChIKeyMGHCNNNKIATYKP-UHFFFAOYSA-N
MW176.63 g/mol
LogP1.15
Rot. Bonds2

About 1-(2-amino-1,3-thiazol-5-yl)-2-chloroethanone

1-(2-amino-1,3-thiazol-5-yl)-2-chloroethanone (PubChem CID 45120169) has the molecular formula C5H5ClN2OS and a molecular weight of 176.63 g/mol. Its IUPAC name is 1-(2-amino-1,3-thiazol-5-yl)-2-chloroethanone.

Molecular Properties

Compound Name1-(2-amino-1,3-thiazol-5-yl)-2-chloroethanone
PubChem CID45120169
Molecular FormulaC5H5ClN2OS
Molecular Weight176.63 g/mol
Exact Mass175.98
IUPAC Name1-(2-amino-1,3-thiazol-5-yl)-2-chloroethanone
SMILESNc1ncc(C(=O)CCl)s1
InChIInChI=1S/C5H5ClN2OS/c6-1-3(9)4-2-8-5(7)10-4/h2H,1H2,(H2,7,8)
InChIKeyMGHCNNNKIATYKP-UHFFFAOYSA-N
XLogP1.15
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.63
LogP ≤ 51.15
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
Ethanone, 2-chloro-1-(2-chloro-5-thiazolyl)-
CID 53407596
1-(2-Amino-1,3-thiazol-5-yl)ethan-1-one hydrochloride
CID 54594116
1-(2-Aminothiazol-5-yl)-2,2,2-trifluoroethan-1-one
CID 87904338
1-(2-(Methylamino)thiazol-5-yl)ethanone
CID 1485905
2-Chloro-3-[2-(dimethylamino)-1,3-thiazol-5-yl]-3-oxopropanenitrile
CID 12742086
Chloromethyl [(2-methylamino)-5-thiazolyl] ketone
CID 13134166
2-Chloro-1-(1,3-thiazol-5-yl)ethan-1-one
CID 45080735
2-chloro-N-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]acetamide
CID 166431921
1-(2-Aminothiazol-5-yl)ethanone hydrobromide
CID 13130947

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1,3-thiazol-5-yl)-2-chloroethanone?
The IUPAC name of 1-(2-amino-1,3-thiazol-5-yl)-2-chloroethanone (CID 45120169) is 1-(2-amino-1,3-thiazol-5-yl)-2-chloroethanone.
What is the SMILES notation for 1-(2-amino-1,3-thiazol-5-yl)-2-chloroethanone?
The canonical SMILES for 1-(2-amino-1,3-thiazol-5-yl)-2-chloroethanone is Nc1ncc(C(=O)CCl)s1.
What is the InChIKey of 1-(2-amino-1,3-thiazol-5-yl)-2-chloroethanone?
The InChIKey is MGHCNNNKIATYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2OS/c6-1-3(9)4-2-8-5(7)10-4/h2H,1H2,(H2,7,8).
What are the key properties of 1-(2-amino-1,3-thiazol-5-yl)-2-chloroethanone?
1-(2-amino-1,3-thiazol-5-yl)-2-chloroethanone has a molecular weight of 176.63 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1,3-thiazol-5-yl)-2-chloroethanone is sourced from PubChem (CID 45120169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).