(2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropane-1,2-diamine

C20H19N5S — CID 24849351

IUPAC(2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropane-1,2-diamine
SMILESNC[C@@H](Cc1ccccc1)Nc1nnc(-c2ccc3cnccc3c2)s1
InChIInChI=1S/C20H19N5S/c21-12-18(10-14-4-2-1-3-5-14)23-20-25-24-19(26-20)16-6-7-17-13-22-9-8-15(17)11-16/h1-9,11,13,18H,10,12,21H2,(H,23,25)/t18-/m1/s1
InChIKeyYDWPYJFRKBIRQS-GOSISDBHSA-N
MW361.47 g/mol
LogP3.74
Rot. Bonds6

About (2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropane-1,2-diamine

(2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropane-1,2-diamine (PubChem CID 24849351) has the molecular formula C20H19N5S and a molecular weight of 361.47 g/mol. Its IUPAC name is (2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropane-1,2-diamine
PubChem CID24849351
Molecular FormulaC20H19N5S
Molecular Weight361.47 g/mol
Exact Mass361.14
IUPAC Name(2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropane-1,2-diamine
SMILESNC[C@@H](Cc1ccccc1)Nc1nnc(-c2ccc3cnccc3c2)s1
InChIInChI=1S/C20H19N5S/c21-12-18(10-14-4-2-1-3-5-14)23-20-25-24-19(26-20)16-6-7-17-13-22-9-8-15(17)11-16/h1-9,11,13,18H,10,12,21H2,(H,23,25)/t18-/m1/s1
InChIKeyYDWPYJFRKBIRQS-GOSISDBHSA-N
XLogP3.74
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropane-1,2-diamine 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 (2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropane-1,2-diamine?
The IUPAC name of (2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropane-1,2-diamine (CID 24849351) is (2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropane-1,2-diamine.
What is the SMILES notation for (2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropane-1,2-diamine?
The canonical SMILES for (2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropane-1,2-diamine is NC[C@@H](Cc1ccccc1)Nc1nnc(-c2ccc3cnccc3c2)s1.
What is the InChIKey of (2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropane-1,2-diamine?
The InChIKey is YDWPYJFRKBIRQS-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19N5S/c21-12-18(10-14-4-2-1-3-5-14)23-20-25-24-19(26-20)16-6-7-17-13-22-9-8-15(17)11-16/h1-9,11,13,18H,10,12,21H2,(H,23,25)/t18-/m1/s1.
What are the key properties of (2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropane-1,2-diamine?
(2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropane-1,2-diamine has a molecular weight of 361.47 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 24849351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).