N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide

C16H9F2IN2OS — CID 16910414

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
SMILESO=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccccc1I
InChIInChI=1S/C16H9F2IN2OS/c17-11-6-5-9(7-12(11)18)14-8-23-16(20-14)21-15(22)10-3-1-2-4-13(10)19/h1-8H,(H,20,21,22)
InChIKeyGVEDOZWRZMTTML-UHFFFAOYSA-N
MW442.23 g/mol
LogP4.95
Rot. Bonds3

About N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide (PubChem CID 16910414) has the molecular formula C16H9F2IN2OS and a molecular weight of 442.23 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
PubChem CID16910414
Molecular FormulaC16H9F2IN2OS
Molecular Weight442.23 g/mol
Exact Mass441.94
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
SMILESO=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccccc1I
InChIInChI=1S/C16H9F2IN2OS/c17-11-6-5-9(7-12(11)18)14-8-23-16(20-14)21-15(22)10-3-1-2-4-13(10)19/h1-8H,(H,20,21,22)
InChIKeyGVEDOZWRZMTTML-UHFFFAOYSA-N
XLogP4.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.23
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 8801401
5-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 26694315
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 19197485
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 7901254
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 2102582
N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 47072656
2-(2-cyanophenyl)sulfanyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 16549637
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
CID 8801292
2-fluoro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 36539454
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 19197481
4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4034255
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 62045979

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide (CID 16910414) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide is O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccccc1I.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide?
The InChIKey is GVEDOZWRZMTTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2IN2OS/c17-11-6-5-9(7-12(11)18)14-8-23-16(20-14)21-15(22)10-3-1-2-4-13(10)19/h1-8H,(H,20,21,22).
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide has a molecular weight of 442.23 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide is sourced from PubChem (CID 16910414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).