N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide

C22H15N5O3S — CID 1193632

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C22H15N5O3S/c28-18(25-26-19-14-8-4-5-9-16(14)24-20(19)29)11-27-12-23-21-15(22(27)30)10-17(31-21)13-6-2-1-3-7-13/h1-10,12,24,29H,11H2/b26-25+
InChIKeyYQAMLLXXLSLRDV-OCEACIFDSA-N
MW429.46 g/mol
LogP4.62
Rot. Bonds4

About N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide

N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 1193632) has the molecular formula C22H15N5O3S and a molecular weight of 429.46 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID1193632
Molecular FormulaC22H15N5O3S
Molecular Weight429.46 g/mol
Exact Mass429.09
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C22H15N5O3S/c28-18(25-26-19-14-8-4-5-9-16(14)24-20(19)29)11-27-12-23-21-15(22(27)30)10-17(31-21)13-6-2-1-3-7-13/h1-10,12,24,29H,11H2/b26-25+
InChIKeyYQAMLLXXLSLRDV-OCEACIFDSA-N
XLogP4.62
TPSA112.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]acetamide
CID 1045419
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 156757094
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 2240124
N-[(7-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxoquinazolin-3-yl)acetamide
CID 156757096
3-[2-(1-adamantyl)-2-oxoethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 7886214
2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide
CID 4117193
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 27238858
2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide
CID 1193249
N-cyclopentyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7630192
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 135572062
butyl 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetate
CID 7671833
N-cycloheptyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7886203

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide (CID 1193632) is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide is O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)/N=N/c1c(O)[nH]c2ccccc12.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is YQAMLLXXLSLRDV-OCEACIFDSA-N. The full InChI is InChI=1S/C22H15N5O3S/c28-18(25-26-19-14-8-4-5-9-16(14)24-20(19)29)11-27-12-23-21-15(22(27)30)10-17(31-21)13-6-2-1-3-7-13/h1-10,12,24,29H,11H2/b26-25+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 429.46 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 1193632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).