5-bromo-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]pyridine-3-carboxamide

C17H13BrN4OS — CID 119099833

IUPAC5-bromo-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1-c1cn2c(n1)SCC2)c1cncc(Br)c1
InChIInChI=1S/C17H13BrN4OS/c18-12-7-11(8-19-9-12)16(23)20-14-4-2-1-3-13(14)15-10-22-5-6-24-17(22)21-15/h1-4,7-10H,5-6H2,(H,20,23)
InChIKeyXMZSOPOHTYHLIX-UHFFFAOYSA-N
MW401.29 g/mol
LogP4.07
Rot. Bonds3

About 5-bromo-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]pyridine-3-carboxamide

5-bromo-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]pyridine-3-carboxamide (PubChem CID 119099833) has the molecular formula C17H13BrN4OS and a molecular weight of 401.29 g/mol. Its IUPAC name is 5-bromo-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]pyridine-3-carboxamide
PubChem CID119099833
Molecular FormulaC17H13BrN4OS
Molecular Weight401.29 g/mol
Exact Mass400.00
IUPAC Name5-bromo-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1-c1cn2c(n1)SCC2)c1cncc(Br)c1
InChIInChI=1S/C17H13BrN4OS/c18-12-7-11(8-19-9-12)16(23)20-14-4-2-1-3-13(14)15-10-22-5-6-24-17(22)21-15/h1-4,7-10H,5-6H2,(H,20,23)
InChIKeyXMZSOPOHTYHLIX-UHFFFAOYSA-N
XLogP4.07
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.29
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 121148230
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide
CID 121148254
3,4-dichloro-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 121148306
3-chloro-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 121148415
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]thiophene-3-carboxamide
CID 121017069
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-iodobenzamide
CID 121148266
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2,4-dimethoxybenzamide
CID 121148238
5-chloro-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxybenzamide
CID 121017054
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 121148384
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(trifluoromethoxy)benzamide
CID 121148490
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 119099836
1-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-fluorophenyl)urea
CID 121149497

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]pyridine-3-carboxamide (CID 119099833) is 5-bromo-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccccc1-c1cn2c(n1)SCC2)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is XMZSOPOHTYHLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4OS/c18-12-7-11(8-19-9-12)16(23)20-14-4-2-1-3-13(14)15-10-22-5-6-24-17(22)21-15/h1-4,7-10H,5-6H2,(H,20,23).
What are the key properties of 5-bromo-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]pyridine-3-carboxamide?
5-bromo-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 401.29 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 119099833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).