3,5-dichloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide

C13H9Cl2N3OS — CID 5226974

IUPAC3,5-dichloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
SMILESO=C(NCc1cn2ccsc2n1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H9Cl2N3OS/c14-9-3-8(4-10(15)5-9)12(19)16-6-11-7-18-1-2-20-13(18)17-11/h1-5,7H,6H2,(H,16,19)
InChIKeyOTCGYMWSSTWWQG-UHFFFAOYSA-N
MW326.21 g/mol
LogP3.63
Rot. Bonds3

About 3,5-dichloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide

3,5-dichloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide (PubChem CID 5226974) has the molecular formula C13H9Cl2N3OS and a molecular weight of 326.21 g/mol. Its IUPAC name is 3,5-dichloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
PubChem CID5226974
Molecular FormulaC13H9Cl2N3OS
Molecular Weight326.21 g/mol
Exact Mass324.98
IUPAC Name3,5-dichloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
SMILESO=C(NCc1cn2ccsc2n1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H9Cl2N3OS/c14-9-3-8(4-10(15)5-9)12(19)16-6-11-7-18-1-2-20-13(18)17-11/h1-5,7H,6H2,(H,16,19)
InChIKeyOTCGYMWSSTWWQG-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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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide?
The IUPAC name of 3,5-dichloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide (CID 5226974) is 3,5-dichloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide.
What is the SMILES notation for 3,5-dichloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide?
The canonical SMILES for 3,5-dichloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide is O=C(NCc1cn2ccsc2n1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide?
The InChIKey is OTCGYMWSSTWWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3OS/c14-9-3-8(4-10(15)5-9)12(19)16-6-11-7-18-1-2-20-13(18)17-11/h1-5,7H,6H2,(H,16,19).
What are the key properties of 3,5-dichloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide?
3,5-dichloro-N-(imidazo[2,1-b][1,3]thiazol-6-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 3,5-dichloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide is sourced from PubChem (CID 5226974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).