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

C12H11IN2OS — CID 63283968

IUPAC4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncsc1CNC(=O)c1ccc(I)cc1
InChIInChI=1S/C12H11IN2OS/c1-8-11(17-7-15-8)6-14-12(16)9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3,(H,14,16)
InChIKeyYACAGSJZTHNOQB-UHFFFAOYSA-N
MW358.20 g/mol
LogP2.99
Rot. Bonds3

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

4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide (PubChem CID 63283968) has the molecular formula C12H11IN2OS and a molecular weight of 358.20 g/mol. Its IUPAC name is 4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
PubChem CID63283968
Molecular FormulaC12H11IN2OS
Molecular Weight358.20 g/mol
Exact Mass357.96
IUPAC Name4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncsc1CNC(=O)c1ccc(I)cc1
InChIInChI=1S/C12H11IN2OS/c1-8-11(17-7-15-8)6-14-12(16)9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3,(H,14,16)
InChIKeyYACAGSJZTHNOQB-UHFFFAOYSA-N
XLogP2.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 52.99
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

3-hydroxy-4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 104628303
5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 55171882
4-amino-N-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]benzamide
CID 63280729
3-amino-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63279962
5-chloro-2-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 113231985
3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)benzamide
CID 63283692
2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide
CID 106853946
4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-nitrobenzamide
CID 63281042
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110718390
1-(4-iodophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanone
CID 63838016
2,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373273

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The IUPAC name of 4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide (CID 63283968) is 4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The canonical SMILES for 4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide is Cc1ncsc1CNC(=O)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The InChIKey is YACAGSJZTHNOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN2OS/c1-8-11(17-7-15-8)6-14-12(16)9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3,(H,14,16).
What are the key properties of 4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide?
4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide has a molecular weight of 358.20 g/mol, XLogP of 2.99, 3 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-5-yl)methyl]benzamide is sourced from PubChem (CID 63283968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).