2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide

C17H12N4O3S2 — CID 2474420

IUPAC2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C17H12N4O3S2/c22-14(19-17-18-12(9-26-17)13-6-3-7-25-13)8-21-16(24)11-5-2-1-4-10(11)15(23)20-21/h1-7,9H,8H2,(H,20,23)(H,18,19,22)
InChIKeyASOHUIDJXJZUGH-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.51
Rot. Bonds4

About 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide

2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 2474420) has the molecular formula C17H12N4O3S2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID2474420
Molecular FormulaC17H12N4O3S2
Molecular Weight384.44 g/mol
Exact Mass384.04
IUPAC Name2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C17H12N4O3S2/c22-14(19-17-18-12(9-26-17)13-6-3-7-25-13)8-21-16(24)11-5-2-1-4-10(11)15(23)20-21/h1-7,9H,8H2,(H,20,23)(H,18,19,22)
InChIKeyASOHUIDJXJZUGH-UHFFFAOYSA-N
XLogP2.51
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide (CID 2474420) is 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide is O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1nc(-c2cccs2)cs1.
What is the InChIKey of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is ASOHUIDJXJZUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3S2/c22-14(19-17-18-12(9-26-17)13-6-3-7-25-13)8-21-16(24)11-5-2-1-4-10(11)15(23)20-21/h1-7,9H,8H2,(H,20,23)(H,18,19,22).
What are the key properties of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 384.44 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2474420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).