1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride

C7H14Cl2N2S — CID 50944361

IUPAC1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride
SMILESCc1nc(C(C)N)c(C)s1.Cl.Cl
InChIInChI=1S/C7H12N2S.2ClH/c1-4(8)7-5(2)10-6(3)9-7;;/h4H,8H2,1-3H3;2*1H
InChIKeySBIWNHGRRGXRIO-UHFFFAOYSA-N
MW229.18 g/mol
LogP2.62
Rot. Bonds1

About 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride

1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride (PubChem CID 50944361) has the molecular formula C7H14Cl2N2S and a molecular weight of 229.18 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride
PubChem CID50944361
Molecular FormulaC7H14Cl2N2S
Molecular Weight229.18 g/mol
Exact Mass228.03
IUPAC Name1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride
SMILESCc1nc(C(C)N)c(C)s1.Cl.Cl
InChIInChI=1S/C7H12N2S.2ClH/c1-4(8)7-5(2)10-6(3)9-7;;/h4H,8H2,1-3H3;2*1H
InChIKeySBIWNHGRRGXRIO-UHFFFAOYSA-N
XLogP2.62
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;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

2-(Dimethyl-1,3-thiazol-5-yl)ethan-1-amine
CID 15670034
1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethan-1-amine
CID 19805509
1-(2,4-Dimethyl-1,3-thiazol-5-yl)methanamine dihydrochloride
CID 46736898
[1-(Dimethyl-1,3-thiazol-5-yl)ethyl](methyl)amine
CID 50989035
(Dimethyl-1,3-thiazol-4-yl)methanamine
CID 69279054
2-(2,4-Dimethyl-1,3-thiazol-5-yl)ethanamine;hydrobromide
CID 45261526
(1-(2-Ethyl-4-methyl-1,3-thiazol-5-yl)ethyl)(methyl)amine
CID 54594887
Methyl({1-[4-methyl-2-(propan-2-yl)-1,3-thiazol-5-yl]ethyl})amine
CID 61287604
4-(1-Aminoethyl)-5-methyl-1,3-thiazol-2-amine
CID 127003453
2-methyl-4H,5H,6H,7H-[1,3]thiazolo[4,5-c]pyridine dihydrochloride
CID 155822244
1-(4-Methyl-1,3-thiazol-5-yl)ethan-1-amine dihydrochloride
CID 165672456
(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethan-1-amine
CID 51983424

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride?
The IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride (CID 50944361) is 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride?
The canonical SMILES for 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride is Cc1nc(C(C)N)c(C)s1.Cl.Cl.
What is the InChIKey of 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride?
The InChIKey is SBIWNHGRRGXRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S.2ClH/c1-4(8)7-5(2)10-6(3)9-7;;/h4H,8H2,1-3H3;2*1H.
What are the key properties of 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride?
1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride has a molecular weight of 229.18 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 50944361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).