3-fluoro-2-iodo-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)benzamide

C14H14FIN2OS — CID 154805096

IUPAC3-fluoro-2-iodo-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)benzamide
SMILESCCCc1nc(C)c(NC(=O)c2cccc(F)c2I)s1
InChIInChI=1S/C14H14FIN2OS/c1-3-5-11-17-8(2)14(20-11)18-13(19)9-6-4-7-10(15)12(9)16/h4,6-7H,3,5H2,1-2H3,(H,18,19)
InChIKeyPOFYRJJVVBTPJE-UHFFFAOYSA-N
MW404.25 g/mol
LogP4.40
Rot. Bonds4

About 3-fluoro-2-iodo-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)benzamide

3-fluoro-2-iodo-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)benzamide (PubChem CID 154805096) has the molecular formula C14H14FIN2OS and a molecular weight of 404.25 g/mol. Its IUPAC name is 3-fluoro-2-iodo-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-2-iodo-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)benzamide
PubChem CID154805096
Molecular FormulaC14H14FIN2OS
Molecular Weight404.25 g/mol
Exact Mass403.99
IUPAC Name3-fluoro-2-iodo-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)benzamide
SMILESCCCc1nc(C)c(NC(=O)c2cccc(F)c2I)s1
InChIInChI=1S/C14H14FIN2OS/c1-3-5-11-17-8(2)14(20-11)18-13(19)9-6-4-7-10(15)12(9)16/h4,6-7H,3,5H2,1-2H3,(H,18,19)
InChIKeyPOFYRJJVVBTPJE-UHFFFAOYSA-N
XLogP4.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.25
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-iodo-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)benzamide?
The IUPAC name of 3-fluoro-2-iodo-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)benzamide (CID 154805096) is 3-fluoro-2-iodo-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)benzamide.
What is the SMILES notation for 3-fluoro-2-iodo-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)benzamide?
The canonical SMILES for 3-fluoro-2-iodo-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)benzamide is CCCc1nc(C)c(NC(=O)c2cccc(F)c2I)s1.
What is the InChIKey of 3-fluoro-2-iodo-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)benzamide?
The InChIKey is POFYRJJVVBTPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FIN2OS/c1-3-5-11-17-8(2)14(20-11)18-13(19)9-6-4-7-10(15)12(9)16/h4,6-7H,3,5H2,1-2H3,(H,18,19).
What are the key properties of 3-fluoro-2-iodo-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)benzamide?
3-fluoro-2-iodo-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)benzamide has a molecular weight of 404.25 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-iodo-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)benzamide is sourced from PubChem (CID 154805096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).