2-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-N-(1,3,4-thiadiazol-2-yl)acetamide

C18H13N5O2S — CID 118600298

IUPAC2-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)Nc1nncs1
InChIInChI=1S/C18H13N5O2S/c24-15(20-18-23-19-10-26-18)9-11-5-7-12(8-6-11)16-13-3-1-2-4-14(13)17(25)22-21-16/h1-8,10H,9H2,(H,22,25)(H,20,23,24)
InChIKeyQECZQGDYDZLZFS-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.62
Rot. Bonds4

About 2-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 118600298) has the molecular formula C18H13N5O2S and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID118600298
Molecular FormulaC18H13N5O2S
Molecular Weight363.40 g/mol
Exact Mass363.08
IUPAC Name2-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)Nc1nncs1
InChIInChI=1S/C18H13N5O2S/c24-15(20-18-23-19-10-26-18)9-11-5-7-12(8-6-11)16-13-3-1-2-4-14(13)17(25)22-21-16/h1-8,10H,9H2,(H,22,25)(H,20,23,24)
InChIKeyQECZQGDYDZLZFS-UHFFFAOYSA-N
XLogP2.62
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 7901256
N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-2-phenylacetamide
CID 29370573
2-(4-nitrophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 3447971
2-(2-fluorophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29369711
2-(2-phenyl-1,3-thiazol-4-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 23610169
4-phenyl-2H-phthalazin-1-one;hydrate
CID 51057017
4-(4-butylphenyl)-2H-phthalazin-1-one
CID 28901933
[4-(4-oxo-3H-phthalazin-1-yl)phenoxy]carbonylazanide;rhenium
CID 147338536
4-[(2-phenylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 17119526
4-[4-[[methyl(sulfinato)amino]methyl]phenyl]-1-oxo-2H-phthalazine
CID 166523602
2-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455547
4-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]phenyl]-2H-phthalazin-1-one
CID 118556646

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 118600298) is 2-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-N-(1,3,4-thiadiazol-2-yl)acetamide is O=C(Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)Nc1nncs1.
What is the InChIKey of 2-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is QECZQGDYDZLZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2S/c24-15(20-18-23-19-10-26-18)9-11-5-7-12(8-6-11)16-13-3-1-2-4-14(13)17(25)22-21-16/h1-8,10H,9H2,(H,22,25)(H,20,23,24).
What are the key properties of 2-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 363.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 118600298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).