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

C15H11Cl2N3O2S — CID 37345715

IUPAC(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(3-chloro-4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2c(Cl)nc3sccn23)cc1Cl
InChIInChI=1S/C15H11Cl2N3O2S/c1-22-12-4-2-9(8-10(12)16)18-13(21)5-3-11-14(17)19-15-20(11)6-7-23-15/h2-8H,1H3,(H,18,21)/b5-3+
InChIKeyQZWXGKUDWSBHKL-HWKANZROSA-N
MW368.25 g/mol
LogP4.36
Rot. Bonds4

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

(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(3-chloro-4-methoxyphenyl)prop-2-enamide (PubChem CID 37345715) has the molecular formula C15H11Cl2N3O2S and a molecular weight of 368.25 g/mol. Its IUPAC name is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(3-chloro-4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(3-chloro-4-methoxyphenyl)prop-2-enamide
PubChem CID37345715
Molecular FormulaC15H11Cl2N3O2S
Molecular Weight368.25 g/mol
Exact Mass366.99
IUPAC Name(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(3-chloro-4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2c(Cl)nc3sccn23)cc1Cl
InChIInChI=1S/C15H11Cl2N3O2S/c1-22-12-4-2-9(8-10(12)16)18-13(21)5-3-11-14(17)19-15-20(11)6-7-23-15/h2-8H,1H3,(H,18,21)/b5-3+
InChIKeyQZWXGKUDWSBHKL-HWKANZROSA-N
XLogP4.36
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-ethylphenyl)prop-2-enamide
CID 37345011
(E)-N-(1,3-benzodioxol-5-yl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
CID 2348698
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide
CID 34728501
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(2,5-dimethoxyphenyl)prop-2-en-1-one
CID 8859633
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 35438077
(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)-N-(4-chloro-2-fluorophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
CID 36681573
(E)-3-(5-bromothiophen-2-yl)-N-(3-chloro-4-methoxyphenyl)prop-2-enamide
CID 26822894
3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N'-(4-fluorophenyl)prop-2-enehydrazide
CID 71903964
N-(2-butan-2-ylpyrazol-3-yl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
CID 78778468
(E)-N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylprop-2-enamide
CID 86992530

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(3-chloro-4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(3-chloro-4-methoxyphenyl)prop-2-enamide (CID 37345715) is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(3-chloro-4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(3-chloro-4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(3-chloro-4-methoxyphenyl)prop-2-enamide is COc1ccc(NC(=O)/C=C/c2c(Cl)nc3sccn23)cc1Cl.
What is the InChIKey of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(3-chloro-4-methoxyphenyl)prop-2-enamide?
The InChIKey is QZWXGKUDWSBHKL-HWKANZROSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2S/c1-22-12-4-2-9(8-10(12)16)18-13(21)5-3-11-14(17)19-15-20(11)6-7-23-15/h2-8H,1H3,(H,18,21)/b5-3+.
What are the key properties of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(3-chloro-4-methoxyphenyl)prop-2-enamide?
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(3-chloro-4-methoxyphenyl)prop-2-enamide has a molecular weight of 368.25 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-(3-chloro-4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 37345715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).