1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride

C6H10Cl2N2OS — CID 167736669

IUPAC1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
SMILESCC(=O)c1csc(CN)n1.Cl.Cl
InChIInChI=1S/C6H8N2OS.2ClH/c1-4(9)5-3-10-6(2-7)8-5;;/h3H,2,7H2,1H3;2*1H
InChIKeyUASNDVRISJISLO-UHFFFAOYSA-N
MW229.13 g/mol
LogP1.65
Rot. Bonds2

About 1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride

1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride (PubChem CID 167736669) has the molecular formula C6H10Cl2N2OS and a molecular weight of 229.13 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
PubChem CID167736669
Molecular FormulaC6H10Cl2N2OS
Molecular Weight229.13 g/mol
Exact Mass227.99
IUPAC Name1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
SMILESCC(=O)c1csc(CN)n1.Cl.Cl
InChIInChI=1S/C6H8N2OS.2ClH/c1-4(9)5-3-10-6(2-7)8-5;;/h3H,2,7H2,1H3;2*1H
InChIKeyUASNDVRISJISLO-UHFFFAOYSA-N
XLogP1.65
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.13
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Methyl-1,3-thiazol-4-yl)ethan-1-one
CID 1475027
1-(2-Chloro-1,3-thiazol-4-yl)ethan-1-one
CID 53444051
1-[2-(Propan-2-yl)-1,3-thiazol-4-yl]ethan-1-one
CID 64544412
3-(Dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one
CID 5704059
2-(1-Aminoethyl)-1,3-thiazole-4-carboxamide
CID 485048
CID 2744832
CID 2744832
2-(2-Aminoethyl)-1,3-thiazole-4-carboxamide
CID 3890422
2,4-Diacetylthiazole
CID 67115427
4-(2,2,2-Trifluoroacetyl)-1,3-thiazole-2-carboxamide
CID 67326663
1-[2-(Aminomethyl)-1,3-thiazol-4-yl]ethan-1-one
CID 67967921
2-Amino-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone
CID 82660244
1-[2-(Fluoromethyl)-1,3-thiazol-4-yl]ethanone
CID 84764107

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride?
The IUPAC name of 1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride (CID 167736669) is 1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride.
What is the SMILES notation for 1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride?
The canonical SMILES for 1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride is CC(=O)c1csc(CN)n1.Cl.Cl.
What is the InChIKey of 1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride?
The InChIKey is UASNDVRISJISLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS.2ClH/c1-4(9)5-3-10-6(2-7)8-5;;/h3H,2,7H2,1H3;2*1H.
What are the key properties of 1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride?
1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride has a molecular weight of 229.13 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride is sourced from PubChem (CID 167736669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).