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

C20H21ClN4O2S — CID 24614277

IUPAC(E)-N-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
SMILESCc1cn2c(/C=C/C(=O)Nc3cccc(Cl)c3N3CCOCC3)c(C)nc2s1
InChIInChI=1S/C20H21ClN4O2S/c1-13-12-25-17(14(2)22-20(25)28-13)6-7-18(26)23-16-5-3-4-15(21)19(16)24-8-10-27-11-9-24/h3-7,12H,8-11H2,1-2H3,(H,23,26)/b7-6+
InChIKeyCPSHSGPWSDFXRU-VOTSOKGWSA-N
MW416.93 g/mol
LogP4.15
Rot. Bonds4

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

(E)-N-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide (PubChem CID 24614277) has the molecular formula C20H21ClN4O2S and a molecular weight of 416.93 g/mol. Its IUPAC name is (E)-N-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
PubChem CID24614277
Molecular FormulaC20H21ClN4O2S
Molecular Weight416.93 g/mol
Exact Mass416.11
IUPAC Name(E)-N-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
SMILESCc1cn2c(/C=C/C(=O)Nc3cccc(Cl)c3N3CCOCC3)c(C)nc2s1
InChIInChI=1S/C20H21ClN4O2S/c1-13-12-25-17(14(2)22-20(25)28-13)6-7-18(26)23-16-5-3-4-15(21)19(16)24-8-10-27-11-9-24/h3-7,12H,8-11H2,1-2H3,(H,23,26)/b7-6+
InChIKeyCPSHSGPWSDFXRU-VOTSOKGWSA-N
XLogP4.15
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 54.15
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide (CID 24614277) is (E)-N-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide is Cc1cn2c(/C=C/C(=O)Nc3cccc(Cl)c3N3CCOCC3)c(C)nc2s1.
What is the InChIKey of (E)-N-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide?
The InChIKey is CPSHSGPWSDFXRU-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H21ClN4O2S/c1-13-12-25-17(14(2)22-20(25)28-13)6-7-18(26)23-16-5-3-4-15(21)19(16)24-8-10-27-11-9-24/h3-7,12H,8-11H2,1-2H3,(H,23,26)/b7-6+.
What are the key properties of (E)-N-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide?
(E)-N-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide has a molecular weight of 416.93 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide is sourced from PubChem (CID 24614277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).