2-(5-methyl-1,3-thiazol-2-yl)butan-2-amine;dihydrochloride

C8H16Cl2N2S — CID 154832821

IUPAC2-(5-methyl-1,3-thiazol-2-yl)butan-2-amine;dihydrochloride
SMILESCCC(C)(N)c1ncc(C)s1.Cl.Cl
InChIInChI=1S/C8H14N2S.2ClH/c1-4-8(3,9)7-10-5-6(2)11-7;;/h5H,4,9H2,1-3H3;2*1H
InChIKeyNAUIGKFLWAJQJF-UHFFFAOYSA-N
MW243.20 g/mol
LogP2.88
Rot. Bonds2

About 2-(5-methyl-1,3-thiazol-2-yl)butan-2-amine;dihydrochloride

2-(5-methyl-1,3-thiazol-2-yl)butan-2-amine;dihydrochloride (PubChem CID 154832821) has the molecular formula C8H16Cl2N2S and a molecular weight of 243.20 g/mol. Its IUPAC name is 2-(5-methyl-1,3-thiazol-2-yl)butan-2-amine;dihydrochloride.

Molecular Properties

Compound Name2-(5-methyl-1,3-thiazol-2-yl)butan-2-amine;dihydrochloride
PubChem CID154832821
Molecular FormulaC8H16Cl2N2S
Molecular Weight243.20 g/mol
Exact Mass242.04
IUPAC Name2-(5-methyl-1,3-thiazol-2-yl)butan-2-amine;dihydrochloride
SMILESCCC(C)(N)c1ncc(C)s1.Cl.Cl
InChIInChI=1S/C8H14N2S.2ClH/c1-4-8(3,9)7-10-5-6(2)11-7;;/h5H,4,9H2,1-3H3;2*1H
InChIKeyNAUIGKFLWAJQJF-UHFFFAOYSA-N
XLogP2.88
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.20
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-methyl-1,3-thiazol-2-yl)butan-2-amine;dihydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3-thiazol-2-yl)butan-2-amine;dihydrochloride?
The IUPAC name of 2-(5-methyl-1,3-thiazol-2-yl)butan-2-amine;dihydrochloride (CID 154832821) is 2-(5-methyl-1,3-thiazol-2-yl)butan-2-amine;dihydrochloride.
What is the SMILES notation for 2-(5-methyl-1,3-thiazol-2-yl)butan-2-amine;dihydrochloride?
The canonical SMILES for 2-(5-methyl-1,3-thiazol-2-yl)butan-2-amine;dihydrochloride is CCC(C)(N)c1ncc(C)s1.Cl.Cl.
What is the InChIKey of 2-(5-methyl-1,3-thiazol-2-yl)butan-2-amine;dihydrochloride?
The InChIKey is NAUIGKFLWAJQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S.2ClH/c1-4-8(3,9)7-10-5-6(2)11-7;;/h5H,4,9H2,1-3H3;2*1H.
What are the key properties of 2-(5-methyl-1,3-thiazol-2-yl)butan-2-amine;dihydrochloride?
2-(5-methyl-1,3-thiazol-2-yl)butan-2-amine;dihydrochloride has a molecular weight of 243.20 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3-thiazol-2-yl)butan-2-amine;dihydrochloride is sourced from PubChem (CID 154832821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).