N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]thiophene-2-carboxamide

C18H16N4O4S — CID 3657523

IUPACN-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]thiophene-2-carboxamide
SMILESCOc1cc(OC)nc(Oc2ccccc2C=NNC(=O)c2cccs2)n1
InChIInChI=1S/C18H16N4O4S/c1-24-15-10-16(25-2)21-18(20-15)26-13-7-4-3-6-12(13)11-19-22-17(23)14-8-5-9-27-14/h3-11H,1-2H3,(H,22,23)
InChIKeyCIRNJSKEXWXSNV-UHFFFAOYSA-N
MW384.42 g/mol
LogP3.11
Rot. Bonds7

About N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]thiophene-2-carboxamide

N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]thiophene-2-carboxamide (PubChem CID 3657523) has the molecular formula C18H16N4O4S and a molecular weight of 384.42 g/mol. Its IUPAC name is N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]thiophene-2-carboxamide
PubChem CID3657523
Molecular FormulaC18H16N4O4S
Molecular Weight384.42 g/mol
Exact Mass384.09
IUPAC NameN-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]thiophene-2-carboxamide
SMILESCOc1cc(OC)nc(Oc2ccccc2C=NNC(=O)c2cccs2)n1
InChIInChI=1S/C18H16N4O4S/c1-24-15-10-16(25-2)21-18(20-15)26-13-7-4-3-6-12(13)11-19-22-17(23)14-8-5-9-27-14/h3-11H,1-2H3,(H,22,23)
InChIKeyCIRNJSKEXWXSNV-UHFFFAOYSA-N
XLogP3.11
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-3-ethylurea
CID 3266951
N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]thiophene-2-carboxamide
CID 4981001
N-[(E)-(2-iodophenyl)methylideneamino]thiophene-2-carboxamide
CID 6910346
N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]ethanamine
CID 67916512
N-[(3,5-dimethoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 2643472
N-[(2-methoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 6737120
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 768844
N-[(E)-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]thiophene-2-carboxamide
CID 126114114
N-[(Z)-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]thiophene-2-carboxamide
CID 135735432
N-[(E)-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]thiophene-2-carboxamide
CID 135533806
N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]thiophene-2-carboxamide
CID 136782120
N-[(Z)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 9392431

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]thiophene-2-carboxamide (CID 3657523) is N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]thiophene-2-carboxamide is COc1cc(OC)nc(Oc2ccccc2C=NNC(=O)c2cccs2)n1.
What is the InChIKey of N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]thiophene-2-carboxamide?
The InChIKey is CIRNJSKEXWXSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4S/c1-24-15-10-16(25-2)21-18(20-15)26-13-7-4-3-6-12(13)11-19-22-17(23)14-8-5-9-27-14/h3-11H,1-2H3,(H,22,23).
What are the key properties of N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]thiophene-2-carboxamide?
N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]thiophene-2-carboxamide has a molecular weight of 384.42 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 3657523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).