(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-ethylphenyl)prop-2-enamide

C16H14ClN3OS — CID 37345011

IUPAC(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-ethylphenyl)prop-2-enamide
SMILESCCc1ccc(NC(=O)/C=C/c2c(Cl)nc3sccn23)cc1
InChIInChI=1S/C16H14ClN3OS/c1-2-11-3-5-12(6-4-11)18-14(21)8-7-13-15(17)19-16-20(13)9-10-22-16/h3-10H,2H2,1H3,(H,18,21)/b8-7+
InChIKeyYIGITOIZGNHNCC-BQYQJAHWSA-N
MW331.83 g/mol
LogP4.26
Rot. Bonds4

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

(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-ethylphenyl)prop-2-enamide (PubChem CID 37345011) has the molecular formula C16H14ClN3OS and a molecular weight of 331.83 g/mol. Its IUPAC name is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-ethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-ethylphenyl)prop-2-enamide
PubChem CID37345011
Molecular FormulaC16H14ClN3OS
Molecular Weight331.83 g/mol
Exact Mass331.05
IUPAC Name(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-ethylphenyl)prop-2-enamide
SMILESCCc1ccc(NC(=O)/C=C/c2c(Cl)nc3sccn23)cc1
InChIInChI=1S/C16H14ClN3OS/c1-2-11-3-5-12(6-4-11)18-14(21)8-7-13-15(17)19-16-20(13)9-10-22-16/h3-10H,2H2,1H3,(H,18,21)/b8-7+
InChIKeyYIGITOIZGNHNCC-BQYQJAHWSA-N
XLogP4.26
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-chlorophenyl)prop-2-enamide
CID 36678294
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(3-chloro-4-methoxyphenyl)prop-2-enamide
CID 37345715
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide
CID 37121177
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methylprop-2-enamide
CID 60630731
(E)-N-(1,3-benzodioxol-5-yl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
CID 2348698
2-[[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]amino]acetic acid
CID 43354436
(E)-N-[(2R)-butan-2-yl]-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
CID 94187219
N-(2-butan-2-ylpyrazol-3-yl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
CID 78778468
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 35438077
[2-(4-methylanilino)-2-oxoethyl] 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
CID 76854583
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide
CID 34728501
3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N'-(4-fluorophenyl)prop-2-enehydrazide
CID 71903964

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-ethylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-ethylphenyl)prop-2-enamide (CID 37345011) is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-ethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-ethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-ethylphenyl)prop-2-enamide is CCc1ccc(NC(=O)/C=C/c2c(Cl)nc3sccn23)cc1.
What is the InChIKey of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-ethylphenyl)prop-2-enamide?
The InChIKey is YIGITOIZGNHNCC-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H14ClN3OS/c1-2-11-3-5-12(6-4-11)18-14(21)8-7-13-15(17)19-16-20(13)9-10-22-16/h3-10H,2H2,1H3,(H,18,21)/b8-7+.
What are the key properties of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-ethylphenyl)prop-2-enamide?
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-ethylphenyl)prop-2-enamide has a molecular weight of 331.83 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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-(4-ethylphenyl)prop-2-enamide is sourced from PubChem (CID 37345011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).