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

C20H23N5O2S — CID 24613297

IUPAC(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
SMILESCc1cn2c(/C=C/C(=O)NCc3ccc(N4CCOCC4)nc3)c(C)nc2s1
InChIInChI=1S/C20H23N5O2S/c1-14-13-25-17(15(2)23-20(25)28-14)4-6-19(26)22-12-16-3-5-18(21-11-16)24-7-9-27-10-8-24/h3-6,11,13H,7-10,12H2,1-2H3,(H,22,26)/b6-4+
InChIKeyDBBDCGTZDFHFRJ-GQCTYLIASA-N
MW397.50 g/mol
LogP2.57
Rot. Bonds5

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

(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide (PubChem CID 24613297) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
PubChem CID24613297
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
SMILESCc1cn2c(/C=C/C(=O)NCc3ccc(N4CCOCC4)nc3)c(C)nc2s1
InChIInChI=1S/C20H23N5O2S/c1-14-13-25-17(15(2)23-20(25)28-14)4-6-19(26)22-12-16-3-5-18(21-11-16)24-7-9-27-10-8-24/h3-6,11,13H,7-10,12H2,1-2H3,(H,22,26)/b6-4+
InChIKeyDBBDCGTZDFHFRJ-GQCTYLIASA-N
XLogP2.57
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[5-(4-chlorophenyl)thiophen-2-yl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
CID 24672676
(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropyl)prop-2-enamide
CID 24559514
(E)-3-(3-chloro-4-fluorophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
CID 24613271
(E)-3-(3-chlorophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
CID 24613264
2,5-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 37274285
(E)-3-[5-(2-chlorophenyl)thiophen-2-yl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
CID 46550015
2-methoxy-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47303387
tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate
CID 63787976
(E)-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
CID 55973148
(E)-3-(5-bromothiophen-2-yl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]prop-2-enamide
CID 55745505
1-[(2S)-1-methoxypropan-2-yl]-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 34669155
2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid
CID 114897147

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide (CID 24613297) is (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide is Cc1cn2c(/C=C/C(=O)NCc3ccc(N4CCOCC4)nc3)c(C)nc2s1.
What is the InChIKey of (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide?
The InChIKey is DBBDCGTZDFHFRJ-GQCTYLIASA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-14-13-25-17(15(2)23-20(25)28-14)4-6-19(26)22-12-16-3-5-18(21-11-16)24-7-9-27-10-8-24/h3-6,11,13H,7-10,12H2,1-2H3,(H,22,26)/b6-4+.
What are the key properties of (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide?
(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide has a molecular weight of 397.50 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide is sourced from PubChem (CID 24613297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).