(E)-N-(2-aminophenyl)-3-[2-morpholin-4-yl-4-(4-nitrophenyl)-1,3-thiazol-5-yl]prop-2-enamide

C22H21N5O4S — CID 155512974

IUPAC(E)-N-(2-aminophenyl)-3-[2-morpholin-4-yl-4-(4-nitrophenyl)-1,3-thiazol-5-yl]prop-2-enamide
SMILESNc1ccccc1NC(=O)/C=C/c1sc(N2CCOCC2)nc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H21N5O4S/c23-17-3-1-2-4-18(17)24-20(28)10-9-19-21(15-5-7-16(8-6-15)27(29)30)25-22(32-19)26-11-13-31-14-12-26/h1-10H,11-14,23H2,(H,24,28)/b10-9+
InChIKeyMOYRNOXDMXYBLN-MDZDMXLPSA-N
MW451.51 g/mol
LogP3.79
Rot. Bonds6

About (E)-N-(2-aminophenyl)-3-[2-morpholin-4-yl-4-(4-nitrophenyl)-1,3-thiazol-5-yl]prop-2-enamide

(E)-N-(2-aminophenyl)-3-[2-morpholin-4-yl-4-(4-nitrophenyl)-1,3-thiazol-5-yl]prop-2-enamide (PubChem CID 155512974) has the molecular formula C22H21N5O4S and a molecular weight of 451.51 g/mol. Its IUPAC name is (E)-N-(2-aminophenyl)-3-[2-morpholin-4-yl-4-(4-nitrophenyl)-1,3-thiazol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-aminophenyl)-3-[2-morpholin-4-yl-4-(4-nitrophenyl)-1,3-thiazol-5-yl]prop-2-enamide
PubChem CID155512974
Molecular FormulaC22H21N5O4S
Molecular Weight451.51 g/mol
Exact Mass451.13
IUPAC Name(E)-N-(2-aminophenyl)-3-[2-morpholin-4-yl-4-(4-nitrophenyl)-1,3-thiazol-5-yl]prop-2-enamide
SMILESNc1ccccc1NC(=O)/C=C/c1sc(N2CCOCC2)nc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H21N5O4S/c23-17-3-1-2-4-18(17)24-20(28)10-9-19-21(15-5-7-16(8-6-15)27(29)30)25-22(32-19)26-11-13-31-14-12-26/h1-10H,11-14,23H2,(H,24,28)/b10-9+
InChIKeyMOYRNOXDMXYBLN-MDZDMXLPSA-N
XLogP3.79
TPSA123.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2-aminophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide
CID 155531820
(E)-N-(3,4-dimethoxyphenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide
CID 155515525
(E)-N-(4-bromophenyl)-3-[4-(4-methoxyphenyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]prop-2-enamide
CID 155549788
(E)-3-[4-(4-chlorophenyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 155537493
(E)-1-(4-fluorophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one
CID 8856182
(E)-N-(2-morpholin-4-yl-4-nitrophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 17220931
(E)-N-(2-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
CID 6253583
2-fluoro-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzamide
CID 6904363
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 5190970
(E)-3-(4-nitrophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 27991288
4-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzenesulfonamide
CID 6904054
(E)-N-(2-methyl-4-morpholin-4-ylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 55615392

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-aminophenyl)-3-[2-morpholin-4-yl-4-(4-nitrophenyl)-1,3-thiazol-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-(2-aminophenyl)-3-[2-morpholin-4-yl-4-(4-nitrophenyl)-1,3-thiazol-5-yl]prop-2-enamide (CID 155512974) is (E)-N-(2-aminophenyl)-3-[2-morpholin-4-yl-4-(4-nitrophenyl)-1,3-thiazol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-aminophenyl)-3-[2-morpholin-4-yl-4-(4-nitrophenyl)-1,3-thiazol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-aminophenyl)-3-[2-morpholin-4-yl-4-(4-nitrophenyl)-1,3-thiazol-5-yl]prop-2-enamide is Nc1ccccc1NC(=O)/C=C/c1sc(N2CCOCC2)nc1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (E)-N-(2-aminophenyl)-3-[2-morpholin-4-yl-4-(4-nitrophenyl)-1,3-thiazol-5-yl]prop-2-enamide?
The InChIKey is MOYRNOXDMXYBLN-MDZDMXLPSA-N. The full InChI is InChI=1S/C22H21N5O4S/c23-17-3-1-2-4-18(17)24-20(28)10-9-19-21(15-5-7-16(8-6-15)27(29)30)25-22(32-19)26-11-13-31-14-12-26/h1-10H,11-14,23H2,(H,24,28)/b10-9+.
What are the key properties of (E)-N-(2-aminophenyl)-3-[2-morpholin-4-yl-4-(4-nitrophenyl)-1,3-thiazol-5-yl]prop-2-enamide?
(E)-N-(2-aminophenyl)-3-[2-morpholin-4-yl-4-(4-nitrophenyl)-1,3-thiazol-5-yl]prop-2-enamide has a molecular weight of 451.51 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-aminophenyl)-3-[2-morpholin-4-yl-4-(4-nitrophenyl)-1,3-thiazol-5-yl]prop-2-enamide is sourced from PubChem (CID 155512974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).