N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetamide

C16H14N4O2S — CID 74630095

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetamide
SMILESO=C(CC1N=NC(=O)c2ccccc21)Nc1nc2c(s1)CCC2
InChIInChI=1S/C16H14N4O2S/c21-14(18-16-17-11-6-3-7-13(11)23-16)8-12-9-4-1-2-5-10(9)15(22)20-19-12/h1-2,4-5,12H,3,6-8H2,(H,17,18,21)
InChIKeyZQADZXPBJJBDOS-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.31
Rot. Bonds3

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetamide (PubChem CID 74630095) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetamide
PubChem CID74630095
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetamide
SMILESO=C(CC1N=NC(=O)c2ccccc21)Nc1nc2c(s1)CCC2
InChIInChI=1S/C16H14N4O2S/c21-14(18-16-17-11-6-3-7-13(11)23-16)8-12-9-4-1-2-5-10(9)15(22)20-19-12/h1-2,4-5,12H,3,6-8H2,(H,17,18,21)
InChIKeyZQADZXPBJJBDOS-UHFFFAOYSA-N
XLogP3.31
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
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N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)propanamide
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CID 5140427
3-(benzylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
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CID 2931402
2-(2-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 6466381
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetamide (CID 74630095) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetamide is O=C(CC1N=NC(=O)c2ccccc21)Nc1nc2c(s1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetamide?
The InChIKey is ZQADZXPBJJBDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c21-14(18-16-17-11-6-3-7-13(11)23-16)8-12-9-4-1-2-5-10(9)15(22)20-19-12/h1-2,4-5,12H,3,6-8H2,(H,17,18,21).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetamide has a molecular weight of 326.38 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 74630095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).