2-bromo-5-iodo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide

C12H10BrIN2OS — CID 103989737

IUPAC2-bromo-5-iodo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(I)ccc1Br)c1nccs1
InChIInChI=1S/C12H10BrIN2OS/c1-7(12-15-4-5-18-12)16-11(17)9-6-8(14)2-3-10(9)13/h2-7H,1H3,(H,16,17)
InChIKeyHZVCIKZYYGMHIT-UHFFFAOYSA-N
MW437.10 g/mol
LogP4.00
Rot. Bonds3

About 2-bromo-5-iodo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide

2-bromo-5-iodo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 103989737) has the molecular formula C12H10BrIN2OS and a molecular weight of 437.10 g/mol. Its IUPAC name is 2-bromo-5-iodo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-iodo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID103989737
Molecular FormulaC12H10BrIN2OS
Molecular Weight437.10 g/mol
Exact Mass435.87
IUPAC Name2-bromo-5-iodo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(I)ccc1Br)c1nccs1
InChIInChI=1S/C12H10BrIN2OS/c1-7(12-15-4-5-18-12)16-11(17)9-6-8(14)2-3-10(9)13/h2-7H,1H3,(H,16,17)
InChIKeyHZVCIKZYYGMHIT-UHFFFAOYSA-N
XLogP4.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.10
LogP ≤ 54.00
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-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 81004513
2,4-dibromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 103882791
2-bromo-5-iodo-N-(1-pyridin-4-ylethyl)benzamide
CID 103993717
2-amino-4-bromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 79722891
2,4-dihydroxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 113232782
3-hydroxy-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 82828968
2-chloro-5-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107030816
3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 143210996
methyl (2S)-2-[(2-bromo-5-iodobenzoyl)amino]propanoate
CID 103994280
2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 63613076
2-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 144903789
3-[(2-bromo-5-iodobenzoyl)amino]-4-methylpentanoic acid
CID 114027480

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-iodo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 2-bromo-5-iodo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide (CID 103989737) is 2-bromo-5-iodo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-5-iodo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2-bromo-5-iodo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide is CC(NC(=O)c1cc(I)ccc1Br)c1nccs1.
What is the InChIKey of 2-bromo-5-iodo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is HZVCIKZYYGMHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrIN2OS/c1-7(12-15-4-5-18-12)16-11(17)9-6-8(14)2-3-10(9)13/h2-7H,1H3,(H,16,17).
What are the key properties of 2-bromo-5-iodo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
2-bromo-5-iodo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 437.10 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-iodo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 103989737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).