3-ethyl-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide

C19H15N5O2S — CID 9319123

IUPAC3-ethyl-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide
SMILESCCn1nc(C(=O)Nc2nc(-c3ccccn3)cs2)c2ccccc2c1=O
InChIInChI=1S/C19H15N5O2S/c1-2-24-18(26)13-8-4-3-7-12(13)16(23-24)17(25)22-19-21-15(11-27-19)14-9-5-6-10-20-14/h3-11H,2H2,1H3,(H,21,22,25)
InChIKeyNPRVCUWUGCGOEV-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.19
Rot. Bonds4

About 3-ethyl-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide

3-ethyl-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide (PubChem CID 9319123) has the molecular formula C19H15N5O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is 3-ethyl-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide
PubChem CID9319123
Molecular FormulaC19H15N5O2S
Molecular Weight377.43 g/mol
Exact Mass377.09
IUPAC Name3-ethyl-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide
SMILESCCn1nc(C(=O)Nc2nc(-c3ccccn3)cs2)c2ccccc2c1=O
InChIInChI=1S/C19H15N5O2S/c1-2-24-18(26)13-8-4-3-7-12(13)16(23-24)17(25)22-19-21-15(11-27-19)14-9-5-6-10-20-14/h3-11H,2H2,1H3,(H,21,22,25)
InChIKeyNPRVCUWUGCGOEV-UHFFFAOYSA-N
XLogP3.19
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide?
The IUPAC name of 3-ethyl-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide (CID 9319123) is 3-ethyl-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide.
What is the SMILES notation for 3-ethyl-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide?
The canonical SMILES for 3-ethyl-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide is CCn1nc(C(=O)Nc2nc(-c3ccccn3)cs2)c2ccccc2c1=O.
What is the InChIKey of 3-ethyl-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide?
The InChIKey is NPRVCUWUGCGOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2S/c1-2-24-18(26)13-8-4-3-7-12(13)16(23-24)17(25)22-19-21-15(11-27-19)14-9-5-6-10-20-14/h3-11H,2H2,1H3,(H,21,22,25).
What are the key properties of 3-ethyl-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide?
3-ethyl-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide has a molecular weight of 377.43 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide is sourced from PubChem (CID 9319123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).