2-amino-4-(2-methyl-1,3-dihydroisoindol-1-yl)-1,3-thiazol-5-ol

C12H13N3OS — CID 143155155

IUPAC2-amino-4-(2-methyl-1,3-dihydroisoindol-1-yl)-1,3-thiazol-5-ol
SMILESCN1Cc2ccccc2C1c1nc(N)sc1O
InChIInChI=1S/C12H13N3OS/c1-15-6-7-4-2-3-5-8(7)10(15)9-11(16)17-12(13)14-9/h2-5,10,16H,6H2,1H3,(H2,13,14)
InChIKeyWPCAGQDDBBEEEY-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.97
Rot. Bonds1

About 2-amino-4-(2-methyl-1,3-dihydroisoindol-1-yl)-1,3-thiazol-5-ol

2-amino-4-(2-methyl-1,3-dihydroisoindol-1-yl)-1,3-thiazol-5-ol (PubChem CID 143155155) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-amino-4-(2-methyl-1,3-dihydroisoindol-1-yl)-1,3-thiazol-5-ol.

Molecular Properties

Compound Name2-amino-4-(2-methyl-1,3-dihydroisoindol-1-yl)-1,3-thiazol-5-ol
PubChem CID143155155
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name2-amino-4-(2-methyl-1,3-dihydroisoindol-1-yl)-1,3-thiazol-5-ol
SMILESCN1Cc2ccccc2C1c1nc(N)sc1O
InChIInChI=1S/C12H13N3OS/c1-15-6-7-4-2-3-5-8(7)10(15)9-11(16)17-12(13)14-9/h2-5,10,16H,6H2,1H3,(H2,13,14)
InChIKeyWPCAGQDDBBEEEY-UHFFFAOYSA-N
XLogP1.97
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-(2-methyl-1,3-dihydroisoindol-1-yl)-1,3-thiazol-5-ol 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-amino-4-(2-methyl-1,3-dihydroisoindol-1-yl)-1,3-thiazol-5-ol?
The IUPAC name of 2-amino-4-(2-methyl-1,3-dihydroisoindol-1-yl)-1,3-thiazol-5-ol (CID 143155155) is 2-amino-4-(2-methyl-1,3-dihydroisoindol-1-yl)-1,3-thiazol-5-ol.
What is the SMILES notation for 2-amino-4-(2-methyl-1,3-dihydroisoindol-1-yl)-1,3-thiazol-5-ol?
The canonical SMILES for 2-amino-4-(2-methyl-1,3-dihydroisoindol-1-yl)-1,3-thiazol-5-ol is CN1Cc2ccccc2C1c1nc(N)sc1O.
What is the InChIKey of 2-amino-4-(2-methyl-1,3-dihydroisoindol-1-yl)-1,3-thiazol-5-ol?
The InChIKey is WPCAGQDDBBEEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-15-6-7-4-2-3-5-8(7)10(15)9-11(16)17-12(13)14-9/h2-5,10,16H,6H2,1H3,(H2,13,14).
What are the key properties of 2-amino-4-(2-methyl-1,3-dihydroisoindol-1-yl)-1,3-thiazol-5-ol?
2-amino-4-(2-methyl-1,3-dihydroisoindol-1-yl)-1,3-thiazol-5-ol has a molecular weight of 247.32 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methyl-1,3-dihydroisoindol-1-yl)-1,3-thiazol-5-ol is sourced from PubChem (CID 143155155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).