5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride

C15H20ClN3S — CID 120903880

IUPAC5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC(C)C1CN(Cc2cnc(N)s2)c2ccccc21.Cl
InChIInChI=1S/C15H19N3S.ClH/c1-10(2)13-9-18(8-11-7-17-15(16)19-11)14-6-4-3-5-12(13)14;/h3-7,10,13H,8-9H2,1-2H3,(H2,16,17);1H
InChIKeyKUXLJSWESKEMDI-UHFFFAOYSA-N
MW309.87 g/mol
LogP3.91
Rot. Bonds3

About 5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride

5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120903880) has the molecular formula C15H20ClN3S and a molecular weight of 309.87 g/mol. Its IUPAC name is 5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120903880
Molecular FormulaC15H20ClN3S
Molecular Weight309.87 g/mol
Exact Mass309.11
IUPAC Name5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC(C)C1CN(Cc2cnc(N)s2)c2ccccc21.Cl
InChIInChI=1S/C15H19N3S.ClH/c1-10(2)13-9-18(8-11-7-17-15(16)19-11)14-6-4-3-5-12(13)14;/h3-7,10,13H,8-9H2,1-2H3,(H2,16,17);1H
InChIKeyKUXLJSWESKEMDI-UHFFFAOYSA-N
XLogP3.91
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.87
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride 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 5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120903880) is 5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride is CC(C)C1CN(Cc2cnc(N)s2)c2ccccc21.Cl.
What is the InChIKey of 5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is KUXLJSWESKEMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S.ClH/c1-10(2)13-9-18(8-11-7-17-15(16)19-11)14-6-4-3-5-12(13)14;/h3-7,10,13H,8-9H2,1-2H3,(H2,16,17);1H.
What are the key properties of 5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 309.87 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120903880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).