N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-iodobenzamide

C18H14IN3OS — CID 121148266

IUPACN-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-iodobenzamide
SMILESO=C(Nc1ccccc1-c1cn2c(n1)SCC2)c1ccccc1I
InChIInChI=1S/C18H14IN3OS/c19-14-7-3-1-5-12(14)17(23)20-15-8-4-2-6-13(15)16-11-22-9-10-24-18(22)21-16/h1-8,11H,9-10H2,(H,20,23)
InChIKeyXRYADPOQVNMENX-UHFFFAOYSA-N
MW447.30 g/mol
LogP4.51
Rot. Bonds3

About N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-iodobenzamide

N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-iodobenzamide (PubChem CID 121148266) has the molecular formula C18H14IN3OS and a molecular weight of 447.30 g/mol. Its IUPAC name is N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-iodobenzamide
PubChem CID121148266
Molecular FormulaC18H14IN3OS
Molecular Weight447.30 g/mol
Exact Mass446.99
IUPAC NameN-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-iodobenzamide
SMILESO=C(Nc1ccccc1-c1cn2c(n1)SCC2)c1ccccc1I
InChIInChI=1S/C18H14IN3OS/c19-14-7-3-1-5-12(14)17(23)20-15-8-4-2-6-13(15)16-11-22-9-10-24-18(22)21-16/h1-8,11H,9-10H2,(H,20,23)
InChIKeyXRYADPOQVNMENX-UHFFFAOYSA-N
XLogP4.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.30
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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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]-2-(trifluoromethoxy)benzamide
CID 121148490
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide
CID 121148254
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]-2,4-dimethoxybenzamide
CID 121148238
3-chloro-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 121148415
5-bromo-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]pyridine-3-carboxamide
CID 119099833
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
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
1-(3-chlorophenyl)-3-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]urea
CID 121149499
2-chloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 40506421

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-iodobenzamide?
The IUPAC name of N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-iodobenzamide (CID 121148266) is N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-iodobenzamide.
What is the SMILES notation for N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-iodobenzamide?
The canonical SMILES for N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-iodobenzamide is O=C(Nc1ccccc1-c1cn2c(n1)SCC2)c1ccccc1I.
What is the InChIKey of N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-iodobenzamide?
The InChIKey is XRYADPOQVNMENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14IN3OS/c19-14-7-3-1-5-12(14)17(23)20-15-8-4-2-6-13(15)16-11-22-9-10-24-18(22)21-16/h1-8,11H,9-10H2,(H,20,23).
What are the key properties of N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-iodobenzamide?
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-iodobenzamide has a molecular weight of 447.30 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-iodobenzamide is sourced from PubChem (CID 121148266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).