2,3-dimethoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide

C21H19N3O3S — CID 7151271

IUPAC2,3-dimethoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2cccc(-c3cn4c(C)csc4n3)c2)c1OC
InChIInChI=1S/C21H19N3O3S/c1-13-12-28-21-23-17(11-24(13)21)14-6-4-7-15(10-14)22-20(25)16-8-5-9-18(26-2)19(16)27-3/h4-12H,1-3H3,(H,22,25)
InChIKeyMHTYHDQMPGFMDE-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.64
Rot. Bonds5

About 2,3-dimethoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide

2,3-dimethoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide (PubChem CID 7151271) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
PubChem CID7151271
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name2,3-dimethoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2cccc(-c3cn4c(C)csc4n3)c2)c1OC
InChIInChI=1S/C21H19N3O3S/c1-13-12-28-21-23-17(11-24(13)21)14-6-4-7-15(10-14)22-20(25)16-8-5-9-18(26-2)19(16)27-3/h4-12H,1-3H3,(H,22,25)
InChIKeyMHTYHDQMPGFMDE-UHFFFAOYSA-N
XLogP4.64
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide (CID 7151271) is 2,3-dimethoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide is COc1cccc(C(=O)Nc2cccc(-c3cn4c(C)csc4n3)c2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide?
The InChIKey is MHTYHDQMPGFMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-13-12-28-21-23-17(11-24(13)21)14-6-4-7-15(10-14)22-20(25)16-8-5-9-18(26-2)19(16)27-3/h4-12H,1-3H3,(H,22,25).
What are the key properties of 2,3-dimethoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide?
2,3-dimethoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide has a molecular weight of 393.47 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide is sourced from PubChem (CID 7151271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).