N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide

C16H15N5O3S — CID 135812058

IUPACN-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide
SMILESCCn1c(O)c(/N=N/C(=O)Cc2cc(=O)[nH]c(=S)[nH]2)c2ccccc21
InChIInChI=1S/C16H15N5O3S/c1-2-21-11-6-4-3-5-10(11)14(15(21)24)20-19-13(23)8-9-7-12(22)18-16(25)17-9/h3-7,24H,2,8H2,1H3,(H2,17,18,22,25)/b20-19+
InChIKeyXQOIJGNXCNJRHC-FMQUCBEESA-N
MW357.40 g/mol
LogP2.97
Rot. Bonds4

About N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide

N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide (PubChem CID 135812058) has the molecular formula C16H15N5O3S and a molecular weight of 357.40 g/mol. Its IUPAC name is N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide
PubChem CID135812058
Molecular FormulaC16H15N5O3S
Molecular Weight357.40 g/mol
Exact Mass357.09
IUPAC NameN-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide
SMILESCCn1c(O)c(/N=N/C(=O)Cc2cc(=O)[nH]c(=S)[nH]2)c2ccccc21
InChIInChI=1S/C16H15N5O3S/c1-2-21-11-6-4-3-5-10(11)14(15(21)24)20-19-13(23)8-9-7-12(22)18-16(25)17-9/h3-7,24H,2,8H2,1H3,(H2,17,18,22,25)/b20-19+
InChIKeyXQOIJGNXCNJRHC-FMQUCBEESA-N
XLogP2.97
TPSA115.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-phenoxyacetamide
CID 963929
N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-methoxyanilino)acetamide
CID 3605087
2-(2-chlorophenoxy)-N-(1-ethyl-2-hydroxyindol-3-yl)iminoacetamide
CID 135674715
4-amino-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide
CID 2642229
N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-hydroxy-2,2-diphenylacetamide
CID 1356442
N-(1-ethyl-2-hydroxyindol-3-yl)imino-3,5-dinitrobenzamide
CID 3522953
3-ethyl-N-(1-ethyl-2-hydroxyindol-3-yl)imino-4-oxophthalazine-1-carboxamide
CID 135749649
N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-2-(2-oxo-1-pyridinyl)acetamide
CID 135702543
4-ethoxy-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide
CID 135577272
2-[[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one
CID 135824238
N,N'-bis[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]imino]pentanediamide
CID 4630970
N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 3411635

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide?
The IUPAC name of N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide (CID 135812058) is N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide is CCn1c(O)c(/N=N/C(=O)Cc2cc(=O)[nH]c(=S)[nH]2)c2ccccc21.
What is the InChIKey of N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide?
The InChIKey is XQOIJGNXCNJRHC-FMQUCBEESA-N. The full InChI is InChI=1S/C16H15N5O3S/c1-2-21-11-6-4-3-5-10(11)14(15(21)24)20-19-13(23)8-9-7-12(22)18-16(25)17-9/h3-7,24H,2,8H2,1H3,(H2,17,18,22,25)/b20-19+.
What are the key properties of N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide?
N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide has a molecular weight of 357.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide is sourced from PubChem (CID 135812058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).