(E)-N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide

C20H19N3O3S — CID 28865327

IUPAC(E)-N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccccc2-c2csc(N)n2)cc1OC
InChIInChI=1S/C20H19N3O3S/c1-25-17-9-7-13(11-18(17)26-2)8-10-19(24)22-15-6-4-3-5-14(15)16-12-27-20(21)23-16/h3-12H,1-2H3,(H2,21,23)(H,22,24)/b10-8+
InChIKeyXSKGKEJWYYFMJD-CSKARUKUSA-N
MW381.46 g/mol
LogP4.06
Rot. Bonds6

About (E)-N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide

(E)-N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide (PubChem CID 28865327) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is (E)-N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
PubChem CID28865327
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name(E)-N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccccc2-c2csc(N)n2)cc1OC
InChIInChI=1S/C20H19N3O3S/c1-25-17-9-7-13(11-18(17)26-2)8-10-19(24)22-15-6-4-3-5-14(15)16-12-27-20(21)23-16/h3-12H,1-2H3,(H2,21,23)(H,22,24)/b10-8+
InChIKeyXSKGKEJWYYFMJD-CSKARUKUSA-N
XLogP4.06
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3,4-dimethoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide
CID 121149196
N-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 3270628
(E)-3-(3-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 39419191
(E)-3-(3-methoxy-4-phenylmethoxyphenyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 19212203
ethyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 1219697
(E)-3-(4-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 90626298
3-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide
CID 75910605
3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-2-methylbenzamide
CID 34585271
(E)-3-(3,4-dimethoxyphenyl)-N-(2-methylquinolin-4-yl)prop-2-enamide
CID 2331797
(E)-N-(2-amino-5-thiophen-2-ylphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 59736742
3-(3,4-dimethoxyphenyl)-N-[4-(2-methoxyanilino)phenyl]prop-2-enamide
CID 3469016
3,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 90626060

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide (CID 28865327) is (E)-N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccccc2-c2csc(N)n2)cc1OC.
What is the InChIKey of (E)-N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The InChIKey is XSKGKEJWYYFMJD-CSKARUKUSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-25-17-9-7-13(11-18(17)26-2)8-10-19(24)22-15-6-4-3-5-14(15)16-12-27-20(21)23-16/h3-12H,1-2H3,(H2,21,23)(H,22,24)/b10-8+.
What are the key properties of (E)-N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide?
(E)-N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide has a molecular weight of 381.46 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 28865327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).