4-oxo-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3H-phthalazine-1-carboxamide

C17H17N5O2S — CID 138992263

IUPAC4-oxo-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3H-phthalazine-1-carboxamide
SMILESO=C(NC1CCN(c2nccs2)CC1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C17H17N5O2S/c23-15-13-4-2-1-3-12(13)14(20-21-15)16(24)19-11-5-8-22(9-6-11)17-18-7-10-25-17/h1-4,7,10-11H,5-6,8-9H2,(H,19,24)(H,21,23)
InChIKeyGCTBFWPJZCMFFO-UHFFFAOYSA-N
MW355.42 g/mol
LogP1.78
Rot. Bonds3

About 4-oxo-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3H-phthalazine-1-carboxamide

4-oxo-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3H-phthalazine-1-carboxamide (PubChem CID 138992263) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 4-oxo-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3H-phthalazine-1-carboxamide
PubChem CID138992263
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name4-oxo-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3H-phthalazine-1-carboxamide
SMILESO=C(NC1CCN(c2nccs2)CC1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C17H17N5O2S/c23-15-13-4-2-1-3-12(13)14(20-21-15)16(24)19-11-5-8-22(9-6-11)17-18-7-10-25-17/h1-4,7,10-11H,5-6,8-9H2,(H,19,24)(H,21,23)
InChIKeyGCTBFWPJZCMFFO-UHFFFAOYSA-N
XLogP1.78
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-oxo-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3H-phthalazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3H-phthalazine-1-carboxamide?
The IUPAC name of 4-oxo-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3H-phthalazine-1-carboxamide (CID 138992263) is 4-oxo-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3H-phthalazine-1-carboxamide.
What is the SMILES notation for 4-oxo-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3H-phthalazine-1-carboxamide?
The canonical SMILES for 4-oxo-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3H-phthalazine-1-carboxamide is O=C(NC1CCN(c2nccs2)CC1)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 4-oxo-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3H-phthalazine-1-carboxamide?
The InChIKey is GCTBFWPJZCMFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c23-15-13-4-2-1-3-12(13)14(20-21-15)16(24)19-11-5-8-22(9-6-11)17-18-7-10-25-17/h1-4,7,10-11H,5-6,8-9H2,(H,19,24)(H,21,23).
What are the key properties of 4-oxo-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3H-phthalazine-1-carboxamide?
4-oxo-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3H-phthalazine-1-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 138992263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).