2-bromo-5-iodo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide

C12H10BrIN2OS — CID 113362963

IUPAC2-bromo-5-iodo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1csc(CNC(=O)c2cc(I)ccc2Br)n1
InChIInChI=1S/C12H10BrIN2OS/c1-7-6-18-11(16-7)5-15-12(17)9-4-8(14)2-3-10(9)13/h2-4,6H,5H2,1H3,(H,15,17)
InChIKeyPKRDYYLDXUKCNV-UHFFFAOYSA-N
MW437.10 g/mol
LogP3.75
Rot. Bonds3

About 2-bromo-5-iodo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide

2-bromo-5-iodo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide (PubChem CID 113362963) has the molecular formula C12H10BrIN2OS and a molecular weight of 437.10 g/mol. Its IUPAC name is 2-bromo-5-iodo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-iodo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
PubChem CID113362963
Molecular FormulaC12H10BrIN2OS
Molecular Weight437.10 g/mol
Exact Mass435.87
IUPAC Name2-bromo-5-iodo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1csc(CNC(=O)c2cc(I)ccc2Br)n1
InChIInChI=1S/C12H10BrIN2OS/c1-7-6-18-11(16-7)5-15-12(17)9-4-8(14)2-3-10(9)13/h2-4,6H,5H2,1H3,(H,15,17)
InChIKeyPKRDYYLDXUKCNV-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
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-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 113363237
2-bromo-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 80979423
2-bromo-5-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 103996029
4-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)benzamide
CID 81448940
4,5-dibromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide
CID 51291417
2-amino-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 54915790
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide
CID 131895425
5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
CID 30176535
4-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709490
2-bromo-5-iodo-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106399945
5-chloro-2-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 62247849
2-[[(2-bromo-5-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380269

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-iodo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The IUPAC name of 2-bromo-5-iodo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide (CID 113362963) is 2-bromo-5-iodo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-5-iodo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-5-iodo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide is Cc1csc(CNC(=O)c2cc(I)ccc2Br)n1.
What is the InChIKey of 2-bromo-5-iodo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The InChIKey is PKRDYYLDXUKCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrIN2OS/c1-7-6-18-11(16-7)5-15-12(17)9-4-8(14)2-3-10(9)13/h2-4,6H,5H2,1H3,(H,15,17).
What are the key properties of 2-bromo-5-iodo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
2-bromo-5-iodo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide has a molecular weight of 437.10 g/mol, XLogP of 3.75, 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-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 113362963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).