4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide

C24H20N4O3S — CID 121407685

IUPAC4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nnc(-c3ccncc3)s2)ccc1OC1Cc2ccccc2C1
InChIInChI=1S/C24H20N4O3S/c1-30-21-14-18(6-7-20(21)31-19-12-16-4-2-3-5-17(16)13-19)22(29)26-24-28-27-23(32-24)15-8-10-25-11-9-15/h2-11,14,19H,12-13H2,1H3,(H,26,28,29)
InChIKeyYIZXGYIJDZFFNR-UHFFFAOYSA-N
MW444.52 g/mol
LogP4.41
Rot. Bonds6

About 4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide

4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 121407685) has the molecular formula C24H20N4O3S and a molecular weight of 444.52 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID121407685
Molecular FormulaC24H20N4O3S
Molecular Weight444.52 g/mol
Exact Mass444.13
IUPAC Name4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nnc(-c3ccncc3)s2)ccc1OC1Cc2ccccc2C1
InChIInChI=1S/C24H20N4O3S/c1-30-21-14-18(6-7-20(21)31-19-12-16-4-2-3-5-17(16)13-19)22(29)26-24-28-27-23(32-24)15-8-10-25-11-9-15/h2-11,14,19H,12-13H2,1H3,(H,26,28,29)
InChIKeyYIZXGYIJDZFFNR-UHFFFAOYSA-N
XLogP4.41
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 121407685) is 4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide is COc1cc(C(=O)Nc2nnc(-c3ccncc3)s2)ccc1OC1Cc2ccccc2C1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is YIZXGYIJDZFFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3S/c1-30-21-14-18(6-7-20(21)31-19-12-16-4-2-3-5-17(16)13-19)22(29)26-24-28-27-23(32-24)15-8-10-25-11-9-15/h2-11,14,19H,12-13H2,1H3,(H,26,28,29).
What are the key properties of 4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide?
4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 444.52 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 121407685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).