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

C12H10ClIN2OS — CID 113231985

IUPAC5-chloro-2-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncsc1CNC(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C12H10ClIN2OS/c1-7-11(18-6-16-7)5-15-12(17)9-4-8(13)2-3-10(9)14/h2-4,6H,5H2,1H3,(H,15,17)
InChIKeyFLMHOACGDNTENX-UHFFFAOYSA-N
MW392.65 g/mol
LogP3.64
Rot. Bonds3

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

5-chloro-2-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide (PubChem CID 113231985) has the molecular formula C12H10ClIN2OS and a molecular weight of 392.65 g/mol. Its IUPAC name is 5-chloro-2-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
PubChem CID113231985
Molecular FormulaC12H10ClIN2OS
Molecular Weight392.65 g/mol
Exact Mass391.92
IUPAC Name5-chloro-2-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncsc1CNC(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C12H10ClIN2OS/c1-7-11(18-6-16-7)5-15-12(17)9-4-8(13)2-3-10(9)14/h2-4,6H,5H2,1H3,(H,15,17)
InChIKeyFLMHOACGDNTENX-UHFFFAOYSA-N
XLogP3.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.65
LogP ≤ 53.64
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-4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 113257504
5-chloro-2-iodo-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 52589331
5-chloro-2-iodo-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579077
5-chloro-2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 113225215
2,6-dichloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 113232226
3-hydroxy-4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 104628303
4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63283968
5-chloro-2-iodo-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 47227109
2-amino-5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 114923513
4-bromo-2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63283747
4-chloro-2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]benzoic acid
CID 63283499
2-bromo-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 55171879

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The IUPAC name of 5-chloro-2-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide (CID 113231985) is 5-chloro-2-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide is Cc1ncsc1CNC(=O)c1cc(Cl)ccc1I.
What is the InChIKey of 5-chloro-2-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The InChIKey is FLMHOACGDNTENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClIN2OS/c1-7-11(18-6-16-7)5-15-12(17)9-4-8(13)2-3-10(9)14/h2-4,6H,5H2,1H3,(H,15,17).
What are the key properties of 5-chloro-2-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide?
5-chloro-2-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide has a molecular weight of 392.65 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 113231985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).