2,4-dichloro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)benzamide

C13H9Cl2N3OS — CID 110872179

IUPAC2,4-dichloro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)benzamide
SMILESO=C(NCc1csc2nccn12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2N3OS/c14-8-1-2-10(11(15)5-8)12(19)17-6-9-7-20-13-16-3-4-18(9)13/h1-5,7H,6H2,(H,17,19)
InChIKeyVCACHECIYLUKAG-UHFFFAOYSA-N
MW326.21 g/mol
LogP3.63
Rot. Bonds3

About 2,4-dichloro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)benzamide

2,4-dichloro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)benzamide (PubChem CID 110872179) has the molecular formula C13H9Cl2N3OS and a molecular weight of 326.21 g/mol. Its IUPAC name is 2,4-dichloro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)benzamide
PubChem CID110872179
Molecular FormulaC13H9Cl2N3OS
Molecular Weight326.21 g/mol
Exact Mass324.98
IUPAC Name2,4-dichloro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)benzamide
SMILESO=C(NCc1csc2nccn12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2N3OS/c14-8-1-2-10(11(15)5-8)12(19)17-6-9-7-20-13-16-3-4-18(9)13/h1-5,7H,6H2,(H,17,19)
InChIKeyVCACHECIYLUKAG-UHFFFAOYSA-N
XLogP3.63
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)benzamide
CID 110872148
N-(2,4-dichlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 110864082
2,4-dichloro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 54774048
2,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide
CID 95324628
2,4-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967359
2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide
CID 37391840
2,4-dichloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359542
N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide
CID 62502829
2,4-dichloro-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
CID 110401568
N-[3-(3-chlorophenyl)cyclohexyl]-2-imidazo[2,1-b][1,3]thiazol-3-ylacetamide
CID 146092309
2,4-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide
CID 19282119
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)benzamide (CID 110872179) is 2,4-dichloro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)benzamide is O=C(NCc1csc2nccn12)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)benzamide?
The InChIKey is VCACHECIYLUKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3OS/c14-8-1-2-10(11(15)5-8)12(19)17-6-9-7-20-13-16-3-4-18(9)13/h1-5,7H,6H2,(H,17,19).
What are the key properties of 2,4-dichloro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)benzamide?
2,4-dichloro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)benzamide has a molecular weight of 326.21 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)benzamide is sourced from PubChem (CID 110872179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).