(2E,4Z)-2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]hexa-2,4-dienamide

C23H24N4O3S — CID 155022803

IUPAC(2E,4Z)-2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]hexa-2,4-dienamide
SMILESC/C=C\C=C(/C)C(=O)Nc1ccc(-c2cn3c(C(=O)N4CCOCC4)csc3n2)cc1
InChIInChI=1S/C23H24N4O3S/c1-3-4-5-16(2)21(28)24-18-8-6-17(7-9-18)19-14-27-20(15-31-23(27)25-19)22(29)26-10-12-30-13-11-26/h3-9,14-15H,10-13H2,1-2H3,(H,24,28)/b4-3-,16-5+
InChIKeyDQNNNNYWVLXEFM-DCCOREFNSA-N
MW436.54 g/mol
LogP4.00
Rot. Bonds5

About (2E,4Z)-2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]hexa-2,4-dienamide

(2E,4Z)-2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]hexa-2,4-dienamide (PubChem CID 155022803) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is (2E,4Z)-2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4Z)-2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]hexa-2,4-dienamide
PubChem CID155022803
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC Name(2E,4Z)-2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]hexa-2,4-dienamide
SMILESC/C=C\C=C(/C)C(=O)Nc1ccc(-c2cn3c(C(=O)N4CCOCC4)csc3n2)cc1
InChIInChI=1S/C23H24N4O3S/c1-3-4-5-16(2)21(28)24-18-8-6-17(7-9-18)19-14-27-20(15-31-23(27)25-19)22(29)26-10-12-30-13-11-26/h3-9,14-15H,10-13H2,1-2H3,(H,24,28)/b4-3-,16-5+
InChIKeyDQNNNNYWVLXEFM-DCCOREFNSA-N
XLogP4.00
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide
CID 46396461
N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide
CID 50839474
N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopropanecarboxamide
CID 50839394
N-[4-[3-(piperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]acetamide
CID 50839374
2-cyclopentyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]acetamide
CID 50839435
[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-pyrrolidin-1-ylmethanone
CID 42271654
2-chloro-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 50839626
2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 121038811
[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 42270017
[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 42269953
2-ethoxy-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 50839605
N-(4-acetamidophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271612

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4Z)-2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]hexa-2,4-dienamide (CID 155022803) is (2E,4Z)-2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4Z)-2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4Z)-2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]hexa-2,4-dienamide is C/C=C\C=C(/C)C(=O)Nc1ccc(-c2cn3c(C(=O)N4CCOCC4)csc3n2)cc1.
What is the InChIKey of (2E,4Z)-2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]hexa-2,4-dienamide?
The InChIKey is DQNNNNYWVLXEFM-DCCOREFNSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-3-4-5-16(2)21(28)24-18-8-6-17(7-9-18)19-14-27-20(15-31-23(27)25-19)22(29)26-10-12-30-13-11-26/h3-9,14-15H,10-13H2,1-2H3,(H,24,28)/b4-3-,16-5+.
What are the key properties of (2E,4Z)-2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]hexa-2,4-dienamide?
(2E,4Z)-2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]hexa-2,4-dienamide has a molecular weight of 436.54 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]hexa-2,4-dienamide is sourced from PubChem (CID 155022803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).