N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-iodobenzamide

C20H19IN2O2S — CID 19197481

IUPACN-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
SMILESCCCCOc1ccc(-c2csc(NC(=O)c3ccccc3I)n2)cc1
InChIInChI=1S/C20H19IN2O2S/c1-2-3-12-25-15-10-8-14(9-11-15)18-13-26-20(22-18)23-19(24)16-6-4-5-7-17(16)21/h4-11,13H,2-3,12H2,1H3,(H,22,23,24)
InChIKeyRTBZJPIMDYLPJY-UHFFFAOYSA-N
MW478.36 g/mol
LogP5.85
Rot. Bonds7

About N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-iodobenzamide

N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-iodobenzamide (PubChem CID 19197481) has the molecular formula C20H19IN2O2S and a molecular weight of 478.36 g/mol. Its IUPAC name is N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
PubChem CID19197481
Molecular FormulaC20H19IN2O2S
Molecular Weight478.36 g/mol
Exact Mass478.02
IUPAC NameN-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
SMILESCCCCOc1ccc(-c2csc(NC(=O)c3ccccc3I)n2)cc1
InChIInChI=1S/C20H19IN2O2S/c1-2-3-12-25-15-10-8-14(9-11-15)18-13-26-20(22-18)23-19(24)16-6-4-5-7-17(16)21/h4-11,13H,2-3,12H2,1H3,(H,22,23,24)
InChIKeyRTBZJPIMDYLPJY-UHFFFAOYSA-N
XLogP5.85
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.36
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-pentoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 4114659
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-3-nitrobenzamide
CID 19197460
2,3-dichloro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 16550460
2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1186581
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide
CID 19224461
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide
CID 19194823
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 19195208
2-chloro-N-[4-(3-dodecoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 59943391
4-butoxy-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3302590
4-benzoyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 5235425
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 19197421
3-butoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 3524855

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-iodobenzamide?
The IUPAC name of N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-iodobenzamide (CID 19197481) is N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-iodobenzamide.
What is the SMILES notation for N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-iodobenzamide?
The canonical SMILES for N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-iodobenzamide is CCCCOc1ccc(-c2csc(NC(=O)c3ccccc3I)n2)cc1.
What is the InChIKey of N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-iodobenzamide?
The InChIKey is RTBZJPIMDYLPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19IN2O2S/c1-2-3-12-25-15-10-8-14(9-11-15)18-13-26-20(22-18)23-19(24)16-6-4-5-7-17(16)21/h4-11,13H,2-3,12H2,1H3,(H,22,23,24).
What are the key properties of N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-iodobenzamide?
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-iodobenzamide has a molecular weight of 478.36 g/mol, XLogP of 5.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-iodobenzamide is sourced from PubChem (CID 19197481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).