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

C19H18N6S — CID 59818223

IUPAC(2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-pyridin-4-ylpropane-1,2-diamine
SMILESNC[C@@H](Cc1ccncc1)Nc1nnc(-c2ccc3cnccc3c2)s1
InChIInChI=1S/C19H18N6S/c20-11-17(9-13-3-6-21-7-4-13)23-19-25-24-18(26-19)15-1-2-16-12-22-8-5-14(16)10-15/h1-8,10,12,17H,9,11,20H2,(H,23,25)/t17-/m1/s1
InChIKeyZDKDIQJDKCURKM-QGZVFWFLSA-N
MW362.46 g/mol
LogP3.13
Rot. Bonds6

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

(2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-pyridin-4-ylpropane-1,2-diamine (PubChem CID 59818223) has the molecular formula C19H18N6S and a molecular weight of 362.46 g/mol. Its IUPAC name is (2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-pyridin-4-ylpropane-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-pyridin-4-ylpropane-1,2-diamine
PubChem CID59818223
Molecular FormulaC19H18N6S
Molecular Weight362.46 g/mol
Exact Mass362.13
IUPAC Name(2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-pyridin-4-ylpropane-1,2-diamine
SMILESNC[C@@H](Cc1ccncc1)Nc1nnc(-c2ccc3cnccc3c2)s1
InChIInChI=1S/C19H18N6S/c20-11-17(9-13-3-6-21-7-4-13)23-19-25-24-18(26-19)15-1-2-16-12-22-8-5-14(16)10-15/h1-8,10,12,17H,9,11,20H2,(H,23,25)/t17-/m1/s1
InChIKeyZDKDIQJDKCURKM-QGZVFWFLSA-N
XLogP3.13
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-pyridin-4-ylpropane-1,2-diamine?
The IUPAC name of (2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-pyridin-4-ylpropane-1,2-diamine (CID 59818223) is (2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-pyridin-4-ylpropane-1,2-diamine.
What is the SMILES notation for (2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-pyridin-4-ylpropane-1,2-diamine?
The canonical SMILES for (2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-pyridin-4-ylpropane-1,2-diamine is NC[C@@H](Cc1ccncc1)Nc1nnc(-c2ccc3cnccc3c2)s1.
What is the InChIKey of (2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-pyridin-4-ylpropane-1,2-diamine?
The InChIKey is ZDKDIQJDKCURKM-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18N6S/c20-11-17(9-13-3-6-21-7-4-13)23-19-25-24-18(26-19)15-1-2-16-12-22-8-5-14(16)10-15/h1-8,10,12,17H,9,11,20H2,(H,23,25)/t17-/m1/s1.
What are the key properties of (2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-pyridin-4-ylpropane-1,2-diamine?
(2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-pyridin-4-ylpropane-1,2-diamine has a molecular weight of 362.46 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 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-pyridin-4-ylpropane-1,2-diamine is sourced from PubChem (CID 59818223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).