(2S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide

C17H18N4O2S — CID 99955784

IUPAC(2S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
SMILESCCc1nc(CNC(=O)[C@@H](C)c2n[nH]c(=O)c3ccccc23)cs1
InChIInChI=1S/C17H18N4O2S/c1-3-14-19-11(9-24-14)8-18-16(22)10(2)15-12-6-4-5-7-13(12)17(23)21-20-15/h4-7,9-10H,3,8H2,1-2H3,(H,18,22)(H,21,23)/t10-/m0/s1
InChIKeyJCCQTMXIQGIECA-JTQLQIEISA-N
MW342.42 g/mol
LogP2.36
Rot. Bonds5

About (2S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide

(2S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide (PubChem CID 99955784) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is (2S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
PubChem CID99955784
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name(2S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
SMILESCCc1nc(CNC(=O)[C@@H](C)c2n[nH]c(=O)c3ccccc23)cs1
InChIInChI=1S/C17H18N4O2S/c1-3-14-19-11(9-24-14)8-18-16(22)10(2)15-12-6-4-5-7-13(12)17(23)21-20-15/h4-7,9-10H,3,8H2,1-2H3,(H,18,22)(H,21,23)/t10-/m0/s1
InChIKeyJCCQTMXIQGIECA-JTQLQIEISA-N
XLogP2.36
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2-(4-oxo-3H-phthalazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide
CID 124751816
(2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
CID 99947725
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 166333056
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
CID 131907820
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
CID 77085866
2-(2-ethyl-1,3-thiazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
CID 47466332
(2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
CID 7626374
(2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
CID 99928932
[2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]methanol
CID 110906009
(2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propanamide
CID 100829318
(2S)-2-[(S)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)propanamide
CID 96548280
4-[1-(4-ethylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]-2H-phthalazin-1-one
CID 131950335

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide?
The IUPAC name of (2S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide (CID 99955784) is (2S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide?
The canonical SMILES for (2S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide is CCc1nc(CNC(=O)[C@@H](C)c2n[nH]c(=O)c3ccccc23)cs1.
What is the InChIKey of (2S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide?
The InChIKey is JCCQTMXIQGIECA-JTQLQIEISA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-3-14-19-11(9-24-14)8-18-16(22)10(2)15-12-6-4-5-7-13(12)17(23)21-20-15/h4-7,9-10H,3,8H2,1-2H3,(H,18,22)(H,21,23)/t10-/m0/s1.
What are the key properties of (2S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide?
(2S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide has a molecular weight of 342.42 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide is sourced from PubChem (CID 99955784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).