(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)prop-2-enamide

C16H16ClN3O3S — CID 32993456

IUPAC(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)prop-2-enamide
SMILESCOCCN(Cc1ccco1)C(=O)/C=C/c1c(Cl)nc2sccn12
InChIInChI=1S/C16H16ClN3O3S/c1-22-9-6-19(11-12-3-2-8-23-12)14(21)5-4-13-15(17)18-16-20(13)7-10-24-16/h2-5,7-8,10H,6,9,11H2,1H3/b5-4+
InChIKeyMKOZVFAGJIAJKW-SNAWJCMRSA-N
MW365.84 g/mol
LogP3.33
Rot. Bonds7

About (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)prop-2-enamide

(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)prop-2-enamide (PubChem CID 32993456) has the molecular formula C16H16ClN3O3S and a molecular weight of 365.84 g/mol. Its IUPAC name is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)prop-2-enamide
PubChem CID32993456
Molecular FormulaC16H16ClN3O3S
Molecular Weight365.84 g/mol
Exact Mass365.06
IUPAC Name(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)prop-2-enamide
SMILESCOCCN(Cc1ccco1)C(=O)/C=C/c1c(Cl)nc2sccn12
InChIInChI=1S/C16H16ClN3O3S/c1-22-9-6-19(11-12-3-2-8-23-12)14(21)5-4-13-15(17)18-16-20(13)7-10-24-16/h2-5,7-8,10H,6,9,11H2,1H3/b5-4+
InChIKeyMKOZVFAGJIAJKW-SNAWJCMRSA-N
XLogP3.33
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide
CID 60553181
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide
CID 76867605
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-methylprop-2-enamide
CID 78768505
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methyl-N-(2-methylpropyl)prop-2-enamide
CID 47163397
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylprop-2-enamide
CID 39947749
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylprop-2-enamide
CID 51143622
3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylprop-2-enamide
CID 79291152
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]prop-2-enamide
CID 36784453
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 8856869
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methylprop-2-enamide
CID 60630731
3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide
CID 77045816
3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methoxyethyl)prop-2-en-1-amine
CID 79340771

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)prop-2-enamide?
The IUPAC name of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)prop-2-enamide (CID 32993456) is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)prop-2-enamide is COCCN(Cc1ccco1)C(=O)/C=C/c1c(Cl)nc2sccn12.
What is the InChIKey of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)prop-2-enamide?
The InChIKey is MKOZVFAGJIAJKW-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H16ClN3O3S/c1-22-9-6-19(11-12-3-2-8-23-12)14(21)5-4-13-15(17)18-16-20(13)7-10-24-16/h2-5,7-8,10H,6,9,11H2,1H3/b5-4+.
What are the key properties of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)prop-2-enamide?
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)prop-2-enamide has a molecular weight of 365.84 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)prop-2-enamide is sourced from PubChem (CID 32993456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).