(E)-N-[4-(cyanomethoxy)phenyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide

C18H16N4O2S — CID 24559941

IUPAC(E)-N-[4-(cyanomethoxy)phenyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
SMILESCc1cn2c(/C=C/C(=O)Nc3ccc(OCC#N)cc3)c(C)nc2s1
InChIInChI=1S/C18H16N4O2S/c1-12-11-22-16(13(2)20-18(22)25-12)7-8-17(23)21-14-3-5-15(6-4-14)24-10-9-19/h3-8,11H,10H2,1-2H3,(H,21,23)/b8-7+
InChIKeyKWAYQMUSYBQKIB-BQYQJAHWSA-N
MW352.42 g/mol
LogP3.57
Rot. Bonds5

About (E)-N-[4-(cyanomethoxy)phenyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide

(E)-N-[4-(cyanomethoxy)phenyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide (PubChem CID 24559941) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is (E)-N-[4-(cyanomethoxy)phenyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(cyanomethoxy)phenyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
PubChem CID24559941
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name(E)-N-[4-(cyanomethoxy)phenyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
SMILESCc1cn2c(/C=C/C(=O)Nc3ccc(OCC#N)cc3)c(C)nc2s1
InChIInChI=1S/C18H16N4O2S/c1-12-11-22-16(13(2)20-18(22)25-12)7-8-17(23)21-14-3-5-15(6-4-14)24-10-9-19/h3-8,11H,10H2,1-2H3,(H,21,23)/b8-7+
InChIKeyKWAYQMUSYBQKIB-BQYQJAHWSA-N
XLogP3.57
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
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-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 24559408
(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropyl)prop-2-enamide
CID 24559514
(E)-N-(4-chlorophenyl)-3-[4-(cyanomethoxy)phenyl]prop-2-enamide
CID 26581088
(E)-N-(4-bromophenyl)-3-[4-(cyanomethoxy)phenyl]prop-2-enamide
CID 26537076
methyl 4-[(E)-3-[4-(cyanomethoxy)anilino]-3-oxoprop-1-enyl]benzoate
CID 30873433
(E)-3-[4-(cyanomethoxy)phenyl]-N-(3,4-dimethylphenyl)prop-2-enamide
CID 26593794
N'-[(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide
CID 24559446
(E)-N-(dicyclopropylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
CID 75362297
3-[4-(cyanomethoxy)phenyl]-N-[4-(2-hydroxyethyl)phenyl]prop-2-enamide
CID 110922915
N-[4-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 61058980
(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide
CID 24617864
(E)-3-[4-(cyanomethoxy)phenyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 27838110

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(cyanomethoxy)phenyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(cyanomethoxy)phenyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide (CID 24559941) is (E)-N-[4-(cyanomethoxy)phenyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(cyanomethoxy)phenyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(cyanomethoxy)phenyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide is Cc1cn2c(/C=C/C(=O)Nc3ccc(OCC#N)cc3)c(C)nc2s1.
What is the InChIKey of (E)-N-[4-(cyanomethoxy)phenyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide?
The InChIKey is KWAYQMUSYBQKIB-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-12-11-22-16(13(2)20-18(22)25-12)7-8-17(23)21-14-3-5-15(6-4-14)24-10-9-19/h3-8,11H,10H2,1-2H3,(H,21,23)/b8-7+.
What are the key properties of (E)-N-[4-(cyanomethoxy)phenyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide?
(E)-N-[4-(cyanomethoxy)phenyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide has a molecular weight of 352.42 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(cyanomethoxy)phenyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide is sourced from PubChem (CID 24559941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).