1-(2-amino-1,3-thiazol-4-yl)-2-(dimethylamino)ethanone;hydrobromide

C7H12BrN3OS — CID 170895769

IUPAC1-(2-amino-1,3-thiazol-4-yl)-2-(dimethylamino)ethanone;hydrobromide
SMILESBr.CN(C)CC(=O)c1csc(N)n1
InChIInChI=1S/C7H11N3OS.BrH/c1-10(2)3-6(11)5-4-12-7(8)9-5;/h4H,3H2,1-2H3,(H2,8,9);1H
InChIKeyBDUFFQCWJIQNDW-UHFFFAOYSA-N
MW266.16 g/mol
LogP1.05
Rot. Bonds3

About 1-(2-amino-1,3-thiazol-4-yl)-2-(dimethylamino)ethanone;hydrobromide

1-(2-amino-1,3-thiazol-4-yl)-2-(dimethylamino)ethanone;hydrobromide (PubChem CID 170895769) has the molecular formula C7H12BrN3OS and a molecular weight of 266.16 g/mol. Its IUPAC name is 1-(2-amino-1,3-thiazol-4-yl)-2-(dimethylamino)ethanone;hydrobromide.

Molecular Properties

Compound Name1-(2-amino-1,3-thiazol-4-yl)-2-(dimethylamino)ethanone;hydrobromide
PubChem CID170895769
Molecular FormulaC7H12BrN3OS
Molecular Weight266.16 g/mol
Exact Mass264.99
IUPAC Name1-(2-amino-1,3-thiazol-4-yl)-2-(dimethylamino)ethanone;hydrobromide
SMILESBr.CN(C)CC(=O)c1csc(N)n1
InChIInChI=1S/C7H11N3OS.BrH/c1-10(2)3-6(11)5-4-12-7(8)9-5;/h4H,3H2,1-2H3,(H2,8,9);1H
InChIKeyBDUFFQCWJIQNDW-UHFFFAOYSA-N
XLogP1.05
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.16
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-amino-1,3-thiazol-4-yl)butan-1-one
CID 13040576
2-amino-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63692953
2-amino-N-methyl-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 62789071
1-(2-amino-1,3-thiazol-4-yl)ethanone
CID 3111964
1-(2-amino-1,3-thiazol-4-yl)hexan-1-one
CID 102530242
2-amino-N-ethyl-N-propyl-1,3-thiazole-4-carboxamide
CID 62788191
2-amino-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 62788598
2-amino-N,N-dipentyl-1,3-thiazole-4-carboxamide
CID 62788074
2-amino-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 62788372
3-[(2-amino-1,3-thiazole-4-carbonyl)-ethylamino]propanoic acid
CID 62788466
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 62787544
2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 62787721

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1,3-thiazol-4-yl)-2-(dimethylamino)ethanone;hydrobromide?
The IUPAC name of 1-(2-amino-1,3-thiazol-4-yl)-2-(dimethylamino)ethanone;hydrobromide (CID 170895769) is 1-(2-amino-1,3-thiazol-4-yl)-2-(dimethylamino)ethanone;hydrobromide.
What is the SMILES notation for 1-(2-amino-1,3-thiazol-4-yl)-2-(dimethylamino)ethanone;hydrobromide?
The canonical SMILES for 1-(2-amino-1,3-thiazol-4-yl)-2-(dimethylamino)ethanone;hydrobromide is Br.CN(C)CC(=O)c1csc(N)n1.
What is the InChIKey of 1-(2-amino-1,3-thiazol-4-yl)-2-(dimethylamino)ethanone;hydrobromide?
The InChIKey is BDUFFQCWJIQNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS.BrH/c1-10(2)3-6(11)5-4-12-7(8)9-5;/h4H,3H2,1-2H3,(H2,8,9);1H.
What are the key properties of 1-(2-amino-1,3-thiazol-4-yl)-2-(dimethylamino)ethanone;hydrobromide?
1-(2-amino-1,3-thiazol-4-yl)-2-(dimethylamino)ethanone;hydrobromide has a molecular weight of 266.16 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1,3-thiazol-4-yl)-2-(dimethylamino)ethanone;hydrobromide is sourced from PubChem (CID 170895769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).