[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone

C22H19N5OS — CID 46890873

IUPAC[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone
SMILESO=C(c1nccs1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C22H19N5OS/c28-22(21-23-10-15-29-21)27-13-11-26(12-14-27)20-18-9-5-4-8-17(18)19(24-25-20)16-6-2-1-3-7-16/h1-10,15H,11-14H2
InChIKeyNZDDSVZRFYCJOD-UHFFFAOYSA-N
MW401.50 g/mol
LogP3.72
Rot. Bonds3

About [4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone

[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone (PubChem CID 46890873) has the molecular formula C22H19N5OS and a molecular weight of 401.50 g/mol. Its IUPAC name is [4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone
PubChem CID46890873
Molecular FormulaC22H19N5OS
Molecular Weight401.50 g/mol
Exact Mass401.13
IUPAC Name[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone
SMILESO=C(c1nccs1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C22H19N5OS/c28-22(21-23-10-15-29-21)27-13-11-26(12-14-27)20-18-9-5-4-8-17(18)19(24-25-20)16-6-2-1-3-7-16/h1-10,15H,11-14H2
InChIKeyNZDDSVZRFYCJOD-UHFFFAOYSA-N
XLogP3.72
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone?
The IUPAC name of [4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone (CID 46890873) is [4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for [4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone is O=C(c1nccs1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1.
What is the InChIKey of [4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone?
The InChIKey is NZDDSVZRFYCJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5OS/c28-22(21-23-10-15-29-21)27-13-11-26(12-14-27)20-18-9-5-4-8-17(18)19(24-25-20)16-6-2-1-3-7-16/h1-10,15H,11-14H2.
What are the key properties of [4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone?
[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone has a molecular weight of 401.50 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 46890873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).