2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-iodobenzamide

C13H10BrIN2OS — CID 103993871

IUPAC2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-iodobenzamide
SMILESO=C(Nc1nc2c(s1)CCC2)c1cc(I)ccc1Br
InChIInChI=1S/C13H10BrIN2OS/c14-9-5-4-7(15)6-8(9)12(18)17-13-16-10-2-1-3-11(10)19-13/h4-6H,1-3H2,(H,16,17,18)
InChIKeyNBIIMYBTTZQISV-UHFFFAOYSA-N
MW449.11 g/mol
LogP4.25
Rot. Bonds2

About 2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-iodobenzamide

2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-iodobenzamide (PubChem CID 103993871) has the molecular formula C13H10BrIN2OS and a molecular weight of 449.11 g/mol. Its IUPAC name is 2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-iodobenzamide.

Molecular Properties

Compound Name2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-iodobenzamide
PubChem CID103993871
Molecular FormulaC13H10BrIN2OS
Molecular Weight449.11 g/mol
Exact Mass447.87
IUPAC Name2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-iodobenzamide
SMILESO=C(Nc1nc2c(s1)CCC2)c1cc(I)ccc1Br
InChIInChI=1S/C13H10BrIN2OS/c14-9-5-4-7(15)6-8(9)12(18)17-13-16-10-2-1-3-11(10)19-13/h4-6H,1-3H2,(H,16,17,18)
InChIKeyNBIIMYBTTZQISV-UHFFFAOYSA-N
XLogP4.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.11
LogP ≤ 54.25
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

2-bromo-5-methoxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 25466331
4-bromo-2-hydroxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 63526621
4-bromo-3-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 81308268
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,4-difluorobenzamide
CID 26723073
2-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-carboxamide
CID 106686629
4-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 3715134
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 5140427
2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-iodobenzamide
CID 114027614
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(ethylamino)benzamide
CID 62176858
5-fluoro-2-hydroxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 79883380
2,3-difluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 105381051
4,6-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2-carboxamide
CID 146080268

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-iodobenzamide?
The IUPAC name of 2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-iodobenzamide (CID 103993871) is 2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-iodobenzamide.
What is the SMILES notation for 2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-iodobenzamide?
The canonical SMILES for 2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-iodobenzamide is O=C(Nc1nc2c(s1)CCC2)c1cc(I)ccc1Br.
What is the InChIKey of 2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-iodobenzamide?
The InChIKey is NBIIMYBTTZQISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrIN2OS/c14-9-5-4-7(15)6-8(9)12(18)17-13-16-10-2-1-3-11(10)19-13/h4-6H,1-3H2,(H,16,17,18).
What are the key properties of 2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-iodobenzamide?
2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-iodobenzamide has a molecular weight of 449.11 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-iodobenzamide is sourced from PubChem (CID 103993871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).