N-(3-methoxyphenyl)-2-[4-[(Z)-2-nitroethenyl]anilino]-1,3-thiazole-5-carboxamide

C19H16N4O4S — CID 88575628

IUPACN-(3-methoxyphenyl)-2-[4-[(Z)-2-nitroethenyl]anilino]-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2cnc(Nc3ccc(/C=C\[N+](=O)[O-])cc3)s2)c1
InChIInChI=1S/C19H16N4O4S/c1-27-16-4-2-3-15(11-16)21-18(24)17-12-20-19(28-17)22-14-7-5-13(6-8-14)9-10-23(25)26/h2-12H,1H3,(H,20,22)(H,21,24)/b10-9-
InChIKeyWEZHDEFHCNUTEV-KTKRTIGZSA-N
MW396.43 g/mol
LogP4.39
Rot. Bonds7

About N-(3-methoxyphenyl)-2-[4-[(Z)-2-nitroethenyl]anilino]-1,3-thiazole-5-carboxamide

N-(3-methoxyphenyl)-2-[4-[(Z)-2-nitroethenyl]anilino]-1,3-thiazole-5-carboxamide (PubChem CID 88575628) has the molecular formula C19H16N4O4S and a molecular weight of 396.43 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[4-[(Z)-2-nitroethenyl]anilino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[4-[(Z)-2-nitroethenyl]anilino]-1,3-thiazole-5-carboxamide
PubChem CID88575628
Molecular FormulaC19H16N4O4S
Molecular Weight396.43 g/mol
Exact Mass396.09
IUPAC NameN-(3-methoxyphenyl)-2-[4-[(Z)-2-nitroethenyl]anilino]-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2cnc(Nc3ccc(/C=C\[N+](=O)[O-])cc3)s2)c1
InChIInChI=1S/C19H16N4O4S/c1-27-16-4-2-3-15(11-16)21-18(24)17-12-20-19(28-17)22-14-7-5-13(6-8-14)9-10-23(25)26/h2-12H,1H3,(H,20,22)(H,21,24)/b10-9-
InChIKeyWEZHDEFHCNUTEV-KTKRTIGZSA-N
XLogP4.39
TPSA106.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(4-methoxyanilino)-1,3-thiazole-5-carboxylate
CID 80570836
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142312
6-(3,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163977
2-(4-methoxyanilino)-N-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 2360763
2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109268538
N-(3-methoxyphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104640036
N-(3-methoxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31505872
N-phenyl-2-(pyrazin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 117093775
N-(3-methoxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide
CID 59811250
2-(4-acetylanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269511
N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-carboxamide
CID 113019386
2-(pyrazin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117086063

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[4-[(Z)-2-nitroethenyl]anilino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[4-[(Z)-2-nitroethenyl]anilino]-1,3-thiazole-5-carboxamide (CID 88575628) is N-(3-methoxyphenyl)-2-[4-[(Z)-2-nitroethenyl]anilino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[4-[(Z)-2-nitroethenyl]anilino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[4-[(Z)-2-nitroethenyl]anilino]-1,3-thiazole-5-carboxamide is COc1cccc(NC(=O)c2cnc(Nc3ccc(/C=C\[N+](=O)[O-])cc3)s2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[4-[(Z)-2-nitroethenyl]anilino]-1,3-thiazole-5-carboxamide?
The InChIKey is WEZHDEFHCNUTEV-KTKRTIGZSA-N. The full InChI is InChI=1S/C19H16N4O4S/c1-27-16-4-2-3-15(11-16)21-18(24)17-12-20-19(28-17)22-14-7-5-13(6-8-14)9-10-23(25)26/h2-12H,1H3,(H,20,22)(H,21,24)/b10-9-.
What are the key properties of N-(3-methoxyphenyl)-2-[4-[(Z)-2-nitroethenyl]anilino]-1,3-thiazole-5-carboxamide?
N-(3-methoxyphenyl)-2-[4-[(Z)-2-nitroethenyl]anilino]-1,3-thiazole-5-carboxamide has a molecular weight of 396.43 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[4-[(Z)-2-nitroethenyl]anilino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 88575628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).