4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C11H9IN2OS — CID 885062

IUPAC4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccc(I)cc2)n1
InChIInChI=1S/C11H9IN2OS/c1-7-6-16-11(13-7)14-10(15)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,14,15)
InChIKeyXIMIBLDIWFXWDC-UHFFFAOYSA-N
MW344.18 g/mol
LogP3.31
Rot. Bonds2

About 4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide

4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 885062) has the molecular formula C11H9IN2OS and a molecular weight of 344.18 g/mol. Its IUPAC name is 4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID885062
Molecular FormulaC11H9IN2OS
Molecular Weight344.18 g/mol
Exact Mass343.95
IUPAC Name4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccc(I)cc2)n1
InChIInChI=1S/C11H9IN2OS/c1-7-6-16-11(13-7)14-10(15)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,14,15)
InChIKeyXIMIBLDIWFXWDC-UHFFFAOYSA-N
XLogP3.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 53.31
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

4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754
4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 47106736
3-hydroxy-4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 104627766
4-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 62173171
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
4-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2566426
2-hydroxy-5-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 37018478
4-[(2-methylpropan-2-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110761812
2-[2-[(4-iodobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 43089417
N-(4-methyl-1,3-thiazol-2-yl)-4-pyrimidin-5-ylbenzamide
CID 56857360
2-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 884818
4-N-(4-methyl-1,3-thiazol-2-yl)-1-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 145489343

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 885062) is 4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2ccc(I)cc2)n1.
What is the InChIKey of 4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is XIMIBLDIWFXWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN2OS/c1-7-6-16-11(13-7)14-10(15)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,14,15).
What are the key properties of 4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 344.18 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 885062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).