(E)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(1,3-thiazol-5-yl)prop-2-enamide

C19H17N3O2S — CID 166232117

IUPAC(E)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(1,3-thiazol-5-yl)prop-2-enamide
SMILESCc1cccc(Oc2ccc(NC(=O)/C=C/c3cncs3)cn2)c1C
InChIInChI=1S/C19H17N3O2S/c1-13-4-3-5-17(14(13)2)24-19-9-6-15(10-21-19)22-18(23)8-7-16-11-20-12-25-16/h3-12H,1-2H3,(H,22,23)/b8-7+
InChIKeySPCIJEXNNBAKQJ-BQYQJAHWSA-N
MW351.43 g/mol
LogP4.60
Rot. Bonds5

About (E)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(1,3-thiazol-5-yl)prop-2-enamide

(E)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(1,3-thiazol-5-yl)prop-2-enamide (PubChem CID 166232117) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is (E)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(1,3-thiazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(1,3-thiazol-5-yl)prop-2-enamide
PubChem CID166232117
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name(E)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(1,3-thiazol-5-yl)prop-2-enamide
SMILESCc1cccc(Oc2ccc(NC(=O)/C=C/c3cncs3)cn2)c1C
InChIInChI=1S/C19H17N3O2S/c1-13-4-3-5-17(14(13)2)24-19-9-6-15(10-21-19)22-18(23)8-7-16-11-20-12-25-16/h3-12H,1-2H3,(H,22,23)/b8-7+
InChIKeySPCIJEXNNBAKQJ-BQYQJAHWSA-N
XLogP4.60
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]propanamide
CID 67235654
4-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide
CID 119888503
3-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide
CID 119888495
(3S)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide
CID 124607684
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-phenoxybenzamide
CID 173468677
(E)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 166232176
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119888485
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 99808384
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide
CID 119888472
(E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 166232048
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120647001
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942250

Frequently Asked Questions

What is the IUPAC name of (E)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(1,3-thiazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(1,3-thiazol-5-yl)prop-2-enamide (CID 166232117) is (E)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(1,3-thiazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(1,3-thiazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(1,3-thiazol-5-yl)prop-2-enamide is Cc1cccc(Oc2ccc(NC(=O)/C=C/c3cncs3)cn2)c1C.
What is the InChIKey of (E)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(1,3-thiazol-5-yl)prop-2-enamide?
The InChIKey is SPCIJEXNNBAKQJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-13-4-3-5-17(14(13)2)24-19-9-6-15(10-21-19)22-18(23)8-7-16-11-20-12-25-16/h3-12H,1-2H3,(H,22,23)/b8-7+.
What are the key properties of (E)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(1,3-thiazol-5-yl)prop-2-enamide?
(E)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(1,3-thiazol-5-yl)prop-2-enamide has a molecular weight of 351.43 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(1,3-thiazol-5-yl)prop-2-enamide is sourced from PubChem (CID 166232117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).