N-(4-fluoro-2-iodophenyl)-4-propan-2-ylthiadiazole-5-carboxamide

C12H11FIN3OS — CID 79766714

IUPACN-(4-fluoro-2-iodophenyl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C12H11FIN3OS/c1-6(2)10-11(19-17-16-10)12(18)15-9-4-3-7(13)5-8(9)14/h3-6H,1-2H3,(H,15,18)
InChIKeyXDYPBTPRMBLSJC-UHFFFAOYSA-N
MW391.21 g/mol
LogP3.66
Rot. Bonds3

About N-(4-fluoro-2-iodophenyl)-4-propan-2-ylthiadiazole-5-carboxamide

N-(4-fluoro-2-iodophenyl)-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 79766714) has the molecular formula C12H11FIN3OS and a molecular weight of 391.21 g/mol. Its IUPAC name is N-(4-fluoro-2-iodophenyl)-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-iodophenyl)-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID79766714
Molecular FormulaC12H11FIN3OS
Molecular Weight391.21 g/mol
Exact Mass390.97
IUPAC NameN-(4-fluoro-2-iodophenyl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C12H11FIN3OS/c1-6(2)10-11(19-17-16-10)12(18)15-9-4-3-7(13)5-8(9)14/h3-6H,1-2H3,(H,15,18)
InChIKeyXDYPBTPRMBLSJC-UHFFFAOYSA-N
XLogP3.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.21
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-bromophenyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65206995
N-(4-bromo-2-ethylphenyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 81290411
5-amino-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]benzoic acid
CID 65206662
N-(3-bromo-4-fluorophenyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 104779437
N-(4-bromo-2-carbamothioylphenyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 82694099
N-(2-carbamothioyl-3-fluorophenyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204662
2-amino-N-(4-fluoro-2-iodophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79766278
N-(4-chloro-2-iodophenyl)-4-methylthiadiazole-5-carboxamide
CID 103579448
N-[2-(cyanomethoxy)phenyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204415
4-fluoro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768923
N-(2-bromo-5-fluorophenyl)-4-methylthiadiazole-5-carboxamide
CID 103579445
4-amino-N-(4-fluoro-2-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116671143

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-iodophenyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-(4-fluoro-2-iodophenyl)-4-propan-2-ylthiadiazole-5-carboxamide (CID 79766714) is N-(4-fluoro-2-iodophenyl)-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-iodophenyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-(4-fluoro-2-iodophenyl)-4-propan-2-ylthiadiazole-5-carboxamide is CC(C)c1nnsc1C(=O)Nc1ccc(F)cc1I.
What is the InChIKey of N-(4-fluoro-2-iodophenyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is XDYPBTPRMBLSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FIN3OS/c1-6(2)10-11(19-17-16-10)12(18)15-9-4-3-7(13)5-8(9)14/h3-6H,1-2H3,(H,15,18).
What are the key properties of N-(4-fluoro-2-iodophenyl)-4-propan-2-ylthiadiazole-5-carboxamide?
N-(4-fluoro-2-iodophenyl)-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 391.21 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-iodophenyl)-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 79766714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).