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

C11H9IN2O2S — CID 104627766

IUPAC3-hydroxy-4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccc(I)c(O)c2)n1
InChIInChI=1S/C11H9IN2O2S/c1-6-5-17-11(13-6)14-10(16)7-2-3-8(12)9(15)4-7/h2-5,15H,1H3,(H,13,14,16)
InChIKeyGMWRHWRWMMITSQ-UHFFFAOYSA-N
MW360.18 g/mol
LogP3.01
Rot. Bonds2

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

3-hydroxy-4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 104627766) has the molecular formula C11H9IN2O2S and a molecular weight of 360.18 g/mol. Its IUPAC name is 3-hydroxy-4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-hydroxy-4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID104627766
Molecular FormulaC11H9IN2O2S
Molecular Weight360.18 g/mol
Exact Mass359.94
IUPAC Name3-hydroxy-4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccc(I)c(O)c2)n1
InChIInChI=1S/C11H9IN2O2S/c1-6-5-17-11(13-6)14-10(16)7-2-3-8(12)9(15)4-7/h2-5,15H,1H3,(H,13,14,16)
InChIKeyGMWRHWRWMMITSQ-UHFFFAOYSA-N
XLogP3.01
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.18
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 885062
3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide
CID 37018543
2-hydroxy-5-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 37018478
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
3,5-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
4-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 62173171
3-methoxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17425685
3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 7770854
2-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 884818
3-chloro-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17361583

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-hydroxy-4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 104627766) is 3-hydroxy-4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-hydroxy-4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-hydroxy-4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2ccc(I)c(O)c2)n1.
What is the InChIKey of 3-hydroxy-4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is GMWRHWRWMMITSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN2O2S/c1-6-5-17-11(13-6)14-10(16)7-2-3-8(12)9(15)4-7/h2-5,15H,1H3,(H,13,14,16).
What are the key properties of 3-hydroxy-4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
3-hydroxy-4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 360.18 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 104627766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).