2-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine;dihydrochloride

C9H18Cl2N2S — CID 154832832

IUPAC2-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine;dihydrochloride
SMILESCCc1csc(C(C)(N)CC)n1.Cl.Cl
InChIInChI=1S/C9H16N2S.2ClH/c1-4-7-6-12-8(11-7)9(3,10)5-2;;/h6H,4-5,10H2,1-3H3;2*1H
InChIKeyKATJEADTOMNXBP-UHFFFAOYSA-N
MW257.23 g/mol
LogP3.13
Rot. Bonds3

About 2-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine;dihydrochloride

2-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine;dihydrochloride (PubChem CID 154832832) has the molecular formula C9H18Cl2N2S and a molecular weight of 257.23 g/mol. Its IUPAC name is 2-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine;dihydrochloride.

Molecular Properties

Compound Name2-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine;dihydrochloride
PubChem CID154832832
Molecular FormulaC9H18Cl2N2S
Molecular Weight257.23 g/mol
Exact Mass256.06
IUPAC Name2-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine;dihydrochloride
SMILESCCc1csc(C(C)(N)CC)n1.Cl.Cl
InChIInChI=1S/C9H16N2S.2ClH/c1-4-7-6-12-8(11-7)9(3,10)5-2;;/h6H,4-5,10H2,1-3H3;2*1H
InChIKeyKATJEADTOMNXBP-UHFFFAOYSA-N
XLogP3.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.23
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-ethyl-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-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine;dihydrochloride?
The IUPAC name of 2-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine;dihydrochloride (CID 154832832) is 2-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine;dihydrochloride.
What is the SMILES notation for 2-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine;dihydrochloride?
The canonical SMILES for 2-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine;dihydrochloride is CCc1csc(C(C)(N)CC)n1.Cl.Cl.
What is the InChIKey of 2-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine;dihydrochloride?
The InChIKey is KATJEADTOMNXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S.2ClH/c1-4-7-6-12-8(11-7)9(3,10)5-2;;/h6H,4-5,10H2,1-3H3;2*1H.
What are the key properties of 2-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine;dihydrochloride?
2-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine;dihydrochloride has a molecular weight of 257.23 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine;dihydrochloride is sourced from PubChem (CID 154832832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).