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

C18H13N5O2S — CID 2660542

IUPAC3-methyl-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide
SMILESCn1nc(C(=O)Nc2nc(-c3ccccn3)cs2)c2ccccc2c1=O
InChIInChI=1S/C18H13N5O2S/c1-23-17(25)12-7-3-2-6-11(12)15(22-23)16(24)21-18-20-14(10-26-18)13-8-4-5-9-19-13/h2-10H,1H3,(H,20,21,24)
InChIKeyOBCMRBRNMMVSLE-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.70
Rot. Bonds3

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

3-methyl-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide (PubChem CID 2660542) has the molecular formula C18H13N5O2S and a molecular weight of 363.40 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide
PubChem CID2660542
Molecular FormulaC18H13N5O2S
Molecular Weight363.40 g/mol
Exact Mass363.08
IUPAC Name3-methyl-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide
SMILESCn1nc(C(=O)Nc2nc(-c3ccccn3)cs2)c2ccccc2c1=O
InChIInChI=1S/C18H13N5O2S/c1-23-17(25)12-7-3-2-6-11(12)15(22-23)16(24)21-18-20-14(10-26-18)13-8-4-5-9-19-13/h2-10H,1H3,(H,20,21,24)
InChIKeyOBCMRBRNMMVSLE-UHFFFAOYSA-N
XLogP2.70
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide (CID 2660542) is 3-methyl-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide is Cn1nc(C(=O)Nc2nc(-c3ccccn3)cs2)c2ccccc2c1=O.
What is the InChIKey of 3-methyl-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide?
The InChIKey is OBCMRBRNMMVSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2S/c1-23-17(25)12-7-3-2-6-11(12)15(22-23)16(24)21-18-20-14(10-26-18)13-8-4-5-9-19-13/h2-10H,1H3,(H,20,21,24).
What are the key properties of 3-methyl-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide?
3-methyl-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide has a molecular weight of 363.40 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide is sourced from PubChem (CID 2660542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).