(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methyl-N-phenylprop-2-enamide

C15H12ClN3OS — CID 36676334

IUPAC(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methyl-N-phenylprop-2-enamide
SMILESCN(C(=O)/C=C/c1c(Cl)nc2sccn12)c1ccccc1
InChIInChI=1S/C15H12ClN3OS/c1-18(11-5-3-2-4-6-11)13(20)8-7-12-14(16)17-15-19(12)9-10-21-15/h2-10H,1H3/b8-7+
InChIKeyHVBRMQUQTIZRAR-BQYQJAHWSA-N
MW317.80 g/mol
LogP3.73
Rot. Bonds3

About (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methyl-N-phenylprop-2-enamide

(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methyl-N-phenylprop-2-enamide (PubChem CID 36676334) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methyl-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methyl-N-phenylprop-2-enamide
PubChem CID36676334
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC Name(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methyl-N-phenylprop-2-enamide
SMILESCN(C(=O)/C=C/c1c(Cl)nc2sccn12)c1ccccc1
InChIInChI=1S/C15H12ClN3OS/c1-18(11-5-3-2-4-6-11)13(20)8-7-12-14(16)17-15-19(12)9-10-21-15/h2-10H,1H3/b8-7+
InChIKeyHVBRMQUQTIZRAR-BQYQJAHWSA-N
XLogP3.73
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 685797
(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 2348921
1-(4-Chlorophenyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea
CID 2999620
Imidazo[2,1-b]thiazole-5-carboxamide, 6-methyl-N-phenyl-
CID 12318051
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
CID 752432
(E)-N-(2-aminophenyl)-3-imidazo[2,1-b][1,3]thiazol-2-ylprop-2-enamide
CID 60198417
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-fluorophenyl)prop-2-enamide
CID 2348707
1-(3-Chlorophenyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea
CID 2997559
(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
N-(3-(imidazo[2,1-b]thiazol-6-yl)phenyl)acetamide
CID 752430
6-chloro-N-(4-piperidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 2349371
6-chloro-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 4166742

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methyl-N-phenylprop-2-enamide?
The IUPAC name of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methyl-N-phenylprop-2-enamide (CID 36676334) is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methyl-N-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methyl-N-phenylprop-2-enamide?
The canonical SMILES for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methyl-N-phenylprop-2-enamide is CN(C(=O)/C=C/c1c(Cl)nc2sccn12)c1ccccc1.
What is the InChIKey of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methyl-N-phenylprop-2-enamide?
The InChIKey is HVBRMQUQTIZRAR-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c1-18(11-5-3-2-4-6-11)13(20)8-7-12-14(16)17-15-19(12)9-10-21-15/h2-10H,1H3/b8-7+.
What are the key properties of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methyl-N-phenylprop-2-enamide?
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methyl-N-phenylprop-2-enamide has a molecular weight of 317.80 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 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-methyl-N-phenylprop-2-enamide is sourced from PubChem (CID 36676334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).