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

C12H10ClIN2OS — CID 47290953

IUPAC4-chloro-2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2ccc(Cl)cc2I)cs1
InChIInChI=1S/C12H10ClIN2OS/c1-7-16-9(6-18-7)5-15-12(17)10-3-2-8(13)4-11(10)14/h2-4,6H,5H2,1H3,(H,15,17)
InChIKeyNPUNAWOJDSESRZ-UHFFFAOYSA-N
MW392.65 g/mol
LogP3.64
Rot. Bonds3

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

4-chloro-2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 47290953) has the molecular formula C12H10ClIN2OS and a molecular weight of 392.65 g/mol. Its IUPAC name is 4-chloro-2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID47290953
Molecular FormulaC12H10ClIN2OS
Molecular Weight392.65 g/mol
Exact Mass391.92
IUPAC Name4-chloro-2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2ccc(Cl)cc2I)cs1
InChIInChI=1S/C12H10ClIN2OS/c1-7-16-9(6-18-7)5-15-12(17)10-3-2-8(13)4-11(10)14/h2-4,6H,5H2,1H3,(H,15,17)
InChIKeyNPUNAWOJDSESRZ-UHFFFAOYSA-N
XLogP3.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.65
LogP ≤ 53.64
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

5-chloro-2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 113225215
4-amino-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 61282058
2-bromo-5-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 113363237
4-chloro-2-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 47451724
2-amino-4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 79723371
2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-nitrobenzamide
CID 61284015
3-amino-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 61282063
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-sulfanylbenzamide
CID 107025625
2-(2,4-dichlorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 47290674
6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47230453
3-fluoro-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 62660002
(E)-3-(4-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 47352836

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 4-chloro-2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide (CID 47290953) is 4-chloro-2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide is Cc1nc(CNC(=O)c2ccc(Cl)cc2I)cs1.
What is the InChIKey of 4-chloro-2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is NPUNAWOJDSESRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClIN2OS/c1-7-16-9(6-18-7)5-15-12(17)10-3-2-8(13)4-11(10)14/h2-4,6H,5H2,1H3,(H,15,17).
What are the key properties of 4-chloro-2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
4-chloro-2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 392.65 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 47290953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).