2-chloro-N-[3-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide

C23H15ClN4OS — CID 46886245

IUPAC2-chloro-N-[3-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nc3sccn3c2-c2ccncc2)c1)c1ccccc1Cl
InChIInChI=1S/C23H15ClN4OS/c24-19-7-2-1-6-18(19)22(29)26-17-5-3-4-16(14-17)20-21(15-8-10-25-11-9-15)28-12-13-30-23(28)27-20/h1-14H,(H,26,29)
InChIKeyAWONUZFYKOTAIK-UHFFFAOYSA-N
MW430.92 g/mol
LogP6.03
Rot. Bonds4

About 2-chloro-N-[3-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide

2-chloro-N-[3-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide (PubChem CID 46886245) has the molecular formula C23H15ClN4OS and a molecular weight of 430.92 g/mol. Its IUPAC name is 2-chloro-N-[3-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
PubChem CID46886245
Molecular FormulaC23H15ClN4OS
Molecular Weight430.92 g/mol
Exact Mass430.07
IUPAC Name2-chloro-N-[3-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nc3sccn3c2-c2ccncc2)c1)c1ccccc1Cl
InChIInChI=1S/C23H15ClN4OS/c24-19-7-2-1-6-18(19)22(29)26-17-5-3-4-16(14-17)20-21(15-8-10-25-11-9-15)28-12-13-30-23(28)27-20/h1-14H,(H,26,29)
InChIKeyAWONUZFYKOTAIK-UHFFFAOYSA-N
XLogP6.03
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.92
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide (CID 46886245) is 2-chloro-N-[3-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide is O=C(Nc1cccc(-c2nc3sccn3c2-c2ccncc2)c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide?
The InChIKey is AWONUZFYKOTAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN4OS/c24-19-7-2-1-6-18(19)22(29)26-17-5-3-4-16(14-17)20-21(15-8-10-25-11-9-15)28-12-13-30-23(28)27-20/h1-14H,(H,26,29).
What are the key properties of 2-chloro-N-[3-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide?
2-chloro-N-[3-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide has a molecular weight of 430.92 g/mol, XLogP of 6.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide is sourced from PubChem (CID 46886245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).