2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole

C18H20N6S — CID 126894384

IUPAC2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole
SMILESc1ncc2cc(N3CCN(Cc4nnc(C5CC5)s4)CC3)ccc2n1
InChIInChI=1S/C18H20N6S/c1-2-13(1)18-22-21-17(25-18)11-23-5-7-24(8-6-23)15-3-4-16-14(9-15)10-19-12-20-16/h3-4,9-10,12-13H,1-2,5-8,11H2
InChIKeyVLAACNLSWXXQMY-UHFFFAOYSA-N
MW352.47 g/mol
LogP2.68
Rot. Bonds4

About 2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole

2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole (PubChem CID 126894384) has the molecular formula C18H20N6S and a molecular weight of 352.47 g/mol. Its IUPAC name is 2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole
PubChem CID126894384
Molecular FormulaC18H20N6S
Molecular Weight352.47 g/mol
Exact Mass352.15
IUPAC Name2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole
SMILESc1ncc2cc(N3CCN(Cc4nnc(C5CC5)s4)CC3)ccc2n1
InChIInChI=1S/C18H20N6S/c1-2-13(1)18-22-21-17(25-18)11-23-5-7-24(8-6-23)15-3-4-16-14(9-15)10-19-12-20-16/h3-4,9-10,12-13H,1-2,5-8,11H2
InChIKeyVLAACNLSWXXQMY-UHFFFAOYSA-N
XLogP2.68
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole?
The IUPAC name of 2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole (CID 126894384) is 2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole is c1ncc2cc(N3CCN(Cc4nnc(C5CC5)s4)CC3)ccc2n1.
What is the InChIKey of 2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole?
The InChIKey is VLAACNLSWXXQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6S/c1-2-13(1)18-22-21-17(25-18)11-23-5-7-24(8-6-23)15-3-4-16-14(9-15)10-19-12-20-16/h3-4,9-10,12-13H,1-2,5-8,11H2.
What are the key properties of 2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole?
2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole has a molecular weight of 352.47 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole is sourced from PubChem (CID 126894384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).