5-chloro-2-iodo-N-(1,3-thiazol-5-ylmethyl)benzamide

C11H8ClIN2OS — CID 104579077

IUPAC5-chloro-2-iodo-N-(1,3-thiazol-5-ylmethyl)benzamide
SMILESO=C(NCc1cncs1)c1cc(Cl)ccc1I
InChIInChI=1S/C11H8ClIN2OS/c12-7-1-2-10(13)9(3-7)11(16)15-5-8-4-14-6-17-8/h1-4,6H,5H2,(H,15,16)
InChIKeyRMCSHJDLCIWGRC-UHFFFAOYSA-N
MW378.62 g/mol
LogP3.33
Rot. Bonds3

About 5-chloro-2-iodo-N-(1,3-thiazol-5-ylmethyl)benzamide

5-chloro-2-iodo-N-(1,3-thiazol-5-ylmethyl)benzamide (PubChem CID 104579077) has the molecular formula C11H8ClIN2OS and a molecular weight of 378.62 g/mol. Its IUPAC name is 5-chloro-2-iodo-N-(1,3-thiazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-iodo-N-(1,3-thiazol-5-ylmethyl)benzamide
PubChem CID104579077
Molecular FormulaC11H8ClIN2OS
Molecular Weight378.62 g/mol
Exact Mass377.91
IUPAC Name5-chloro-2-iodo-N-(1,3-thiazol-5-ylmethyl)benzamide
SMILESO=C(NCc1cncs1)c1cc(Cl)ccc1I
InChIInChI=1S/C11H8ClIN2OS/c12-7-1-2-10(13)9(3-7)11(16)15-5-8-4-14-6-17-8/h1-4,6H,5H2,(H,15,16)
InChIKeyRMCSHJDLCIWGRC-UHFFFAOYSA-N
XLogP3.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.62
LogP ≤ 53.33
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-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 113231985
5-chloro-2-iodo-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 47227109
5-chloro-2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 113225215
5-chloro-2-iodo-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 52589331
5-chloro-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 49082320
2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579091
4-[[(5-chloro-2-iodobenzoyl)amino]methyl]benzoic acid
CID 103790087
4-fluoro-2-methyl-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579063
4-chloro-N,N-dimethyl-2-(1,3-thiazol-5-ylmethylamino)benzamide
CID 62758513
3,4,5-trifluoro-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 113429009
methyl 2-[(5-chloro-2-iodobenzoyl)amino]acetate
CID 47190528
5-iodo-N-(1,3-thiazol-5-ylmethyl)thiophene-3-carboxamide
CID 104579050

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-iodo-N-(1,3-thiazol-5-ylmethyl)benzamide?
The IUPAC name of 5-chloro-2-iodo-N-(1,3-thiazol-5-ylmethyl)benzamide (CID 104579077) is 5-chloro-2-iodo-N-(1,3-thiazol-5-ylmethyl)benzamide.
What is the SMILES notation for 5-chloro-2-iodo-N-(1,3-thiazol-5-ylmethyl)benzamide?
The canonical SMILES for 5-chloro-2-iodo-N-(1,3-thiazol-5-ylmethyl)benzamide is O=C(NCc1cncs1)c1cc(Cl)ccc1I.
What is the InChIKey of 5-chloro-2-iodo-N-(1,3-thiazol-5-ylmethyl)benzamide?
The InChIKey is RMCSHJDLCIWGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClIN2OS/c12-7-1-2-10(13)9(3-7)11(16)15-5-8-4-14-6-17-8/h1-4,6H,5H2,(H,15,16).
What are the key properties of 5-chloro-2-iodo-N-(1,3-thiazol-5-ylmethyl)benzamide?
5-chloro-2-iodo-N-(1,3-thiazol-5-ylmethyl)benzamide has a molecular weight of 378.62 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-iodo-N-(1,3-thiazol-5-ylmethyl)benzamide is sourced from PubChem (CID 104579077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).