(1S,2R)-1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2,3-dihydro-1H-inden-2-ol

C17H23N3OS — CID 110923337

IUPAC(1S,2R)-1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESCCN(CC)c1ncc(CN[C@H]2c3ccccc3C[C@H]2O)s1
InChIInChI=1S/C17H23N3OS/c1-3-20(4-2)17-19-11-13(22-17)10-18-16-14-8-6-5-7-12(14)9-15(16)21/h5-8,11,15-16,18,21H,3-4,9-10H2,1-2H3/t15-,16+/m1/s1
InChIKeyPDRQIISFWVQELV-CVEARBPZSA-N
MW317.46 g/mol
LogP2.74
Rot. Bonds6

About (1S,2R)-1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2,3-dihydro-1H-inden-2-ol

(1S,2R)-1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 110923337) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is (1S,2R)-1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2,3-dihydro-1H-inden-2-ol
PubChem CID110923337
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name(1S,2R)-1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESCCN(CC)c1ncc(CN[C@H]2c3ccccc3C[C@H]2O)s1
InChIInChI=1S/C17H23N3OS/c1-3-20(4-2)17-19-11-13(22-17)10-18-16-14-8-6-5-7-12(14)9-15(16)21/h5-8,11,15-16,18,21H,3-4,9-10H2,1-2H3/t15-,16+/m1/s1
InChIKeyPDRQIISFWVQELV-CVEARBPZSA-N
XLogP2.74
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S,2R)-1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2,3-dihydro-1H-inden-2-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 (1S,2R)-1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1S,2R)-1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2,3-dihydro-1H-inden-2-ol (CID 110923337) is (1S,2R)-1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1S,2R)-1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1S,2R)-1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2,3-dihydro-1H-inden-2-ol is CCN(CC)c1ncc(CN[C@H]2c3ccccc3C[C@H]2O)s1.
What is the InChIKey of (1S,2R)-1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is PDRQIISFWVQELV-CVEARBPZSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-3-20(4-2)17-19-11-13(22-17)10-18-16-14-8-6-5-7-12(14)9-15(16)21/h5-8,11,15-16,18,21H,3-4,9-10H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of (1S,2R)-1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2,3-dihydro-1H-inden-2-ol?
(1S,2R)-1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 317.46 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 110923337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).