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

C12H12IN3OS — CID 112750831

IUPAC3-amino-5-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2cc(N)cc(I)c2)cs1
InChIInChI=1S/C12H12IN3OS/c1-7-16-11(6-18-7)5-15-12(17)8-2-9(13)4-10(14)3-8/h2-4,6H,5,14H2,1H3,(H,15,17)
InChIKeyWHJSFVDRXFOIFN-UHFFFAOYSA-N
MW373.22 g/mol
LogP2.57
Rot. Bonds3

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

3-amino-5-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 112750831) has the molecular formula C12H12IN3OS and a molecular weight of 373.22 g/mol. Its IUPAC name is 3-amino-5-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-5-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID112750831
Molecular FormulaC12H12IN3OS
Molecular Weight373.22 g/mol
Exact Mass372.97
IUPAC Name3-amino-5-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2cc(N)cc(I)c2)cs1
InChIInChI=1S/C12H12IN3OS/c1-7-16-11(6-18-7)5-15-12(17)8-2-9(13)4-10(14)3-8/h2-4,6H,5,14H2,1H3,(H,15,17)
InChIKeyWHJSFVDRXFOIFN-UHFFFAOYSA-N
XLogP2.57
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.22
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-5-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 55041571
5-amino-2-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 103296222
3-amino-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 61282063
3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64524858
2-bromo-5-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 113363237
4-amino-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 61282058
5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47044611
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 113257333
3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide
CID 61282056
3-methyl-4-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55163251
N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47290675
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61285006

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 3-amino-5-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide (CID 112750831) is 3-amino-5-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-5-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-amino-5-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide is Cc1nc(CNC(=O)c2cc(N)cc(I)c2)cs1.
What is the InChIKey of 3-amino-5-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is WHJSFVDRXFOIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN3OS/c1-7-16-11(6-18-7)5-15-12(17)8-2-9(13)4-10(14)3-8/h2-4,6H,5,14H2,1H3,(H,15,17).
What are the key properties of 3-amino-5-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
3-amino-5-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 373.22 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 112750831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).