(2R)-5-(4-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole

C19H21N3S — CID 7305321

IUPAC(2R)-5-(4-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole
SMILESCc1ccc(C2=NN[C@@H](c3ccc(N4CCCC4)cc3)S2)cc1
InChIInChI=1S/C19H21N3S/c1-14-4-6-15(7-5-14)18-20-21-19(23-18)16-8-10-17(11-9-16)22-12-2-3-13-22/h4-11,19,21H,2-3,12-13H2,1H3/t19-/m1/s1
InChIKeyICDHIILTZGCAEV-LJQANCHMSA-N
MW323.47 g/mol
LogP4.29
Rot. Bonds3

About (2R)-5-(4-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole

(2R)-5-(4-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole (PubChem CID 7305321) has the molecular formula C19H21N3S and a molecular weight of 323.47 g/mol. Its IUPAC name is (2R)-5-(4-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole.

Molecular Properties

Compound Name(2R)-5-(4-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole
PubChem CID7305321
Molecular FormulaC19H21N3S
Molecular Weight323.47 g/mol
Exact Mass323.15
IUPAC Name(2R)-5-(4-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole
SMILESCc1ccc(C2=NN[C@@H](c3ccc(N4CCCC4)cc3)S2)cc1
InChIInChI=1S/C19H21N3S/c1-14-4-6-15(7-5-14)18-20-21-19(23-18)16-8-10-17(11-9-16)22-12-2-3-13-22/h4-11,19,21H,2-3,12-13H2,1H3/t19-/m1/s1
InChIKeyICDHIILTZGCAEV-LJQANCHMSA-N
XLogP4.29
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-(4-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole?
The IUPAC name of (2R)-5-(4-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole (CID 7305321) is (2R)-5-(4-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole.
What is the SMILES notation for (2R)-5-(4-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole?
The canonical SMILES for (2R)-5-(4-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole is Cc1ccc(C2=NN[C@@H](c3ccc(N4CCCC4)cc3)S2)cc1.
What is the InChIKey of (2R)-5-(4-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole?
The InChIKey is ICDHIILTZGCAEV-LJQANCHMSA-N. The full InChI is InChI=1S/C19H21N3S/c1-14-4-6-15(7-5-14)18-20-21-19(23-18)16-8-10-17(11-9-16)22-12-2-3-13-22/h4-11,19,21H,2-3,12-13H2,1H3/t19-/m1/s1.
What are the key properties of (2R)-5-(4-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole?
(2R)-5-(4-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole has a molecular weight of 323.47 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(4-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole is sourced from PubChem (CID 7305321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).