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

C13H12FIN2OS — CID 103642131

IUPAC4-fluoro-2-iodo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1csc(C(C)NC(=O)c2ccc(F)cc2I)n1
InChIInChI=1S/C13H12FIN2OS/c1-7-6-19-13(16-7)8(2)17-12(18)10-4-3-9(14)5-11(10)15/h3-6,8H,1-2H3,(H,17,18)
InChIKeySYHCBCOMCZALFY-UHFFFAOYSA-N
MW390.22 g/mol
LogP3.69
Rot. Bonds3

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

4-fluoro-2-iodo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 103642131) has the molecular formula C13H12FIN2OS and a molecular weight of 390.22 g/mol. Its IUPAC name is 4-fluoro-2-iodo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-2-iodo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID103642131
Molecular FormulaC13H12FIN2OS
Molecular Weight390.22 g/mol
Exact Mass389.97
IUPAC Name4-fluoro-2-iodo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1csc(C(C)NC(=O)c2ccc(F)cc2I)n1
InChIInChI=1S/C13H12FIN2OS/c1-7-6-19-13(16-7)8(2)17-12(18)10-4-3-9(14)5-11(10)15/h3-6,8H,1-2H3,(H,17,18)
InChIKeySYHCBCOMCZALFY-UHFFFAOYSA-N
XLogP3.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.22
LogP ≤ 53.69
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

4-fluoro-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702418
3-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 115646115
4-fluoro-2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 47220104
3-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 105388401
3,4-dihydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103956894
1-(4-fluoro-2-methoxyphenyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 56824401
4-fluoro-2-iodo-N-(4-methylpentan-2-yl)benzamide
CID 103839185
2-amino-5-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 114923776
2-[1-[(2-fluoro-5-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66381371
3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 82108654
2-[1-[(2-fluoro-3-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 81480664
2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 114898569

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-fluoro-2-iodo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide (CID 103642131) is 4-fluoro-2-iodo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-fluoro-2-iodo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-fluoro-2-iodo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide is Cc1csc(C(C)NC(=O)c2ccc(F)cc2I)n1.
What is the InChIKey of 4-fluoro-2-iodo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is SYHCBCOMCZALFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FIN2OS/c1-7-6-19-13(16-7)8(2)17-12(18)10-4-3-9(14)5-11(10)15/h3-6,8H,1-2H3,(H,17,18).
What are the key properties of 4-fluoro-2-iodo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
4-fluoro-2-iodo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 390.22 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 103642131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).