N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1,3-thiazole-4-carboxamide

C11H9FN4O2S — CID 82685689

IUPACN-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1,3-thiazole-4-carboxamide
SMILESN/C(=N/O)c1cc(F)ccc1NC(=O)c1cscn1
InChIInChI=1S/C11H9FN4O2S/c12-6-1-2-8(7(3-6)10(13)16-18)15-11(17)9-4-19-5-14-9/h1-5,18H,(H2,13,16)(H,15,17)
InChIKeyOGICCJKEIPOFMU-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.63
Rot. Bonds3

About N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1,3-thiazole-4-carboxamide

N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 82685689) has the molecular formula C11H9FN4O2S and a molecular weight of 280.28 g/mol. Its IUPAC name is N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID82685689
Molecular FormulaC11H9FN4O2S
Molecular Weight280.28 g/mol
Exact Mass280.04
IUPAC NameN-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1,3-thiazole-4-carboxamide
SMILESN/C(=N/O)c1cc(F)ccc1NC(=O)c1cscn1
InChIInChI=1S/C11H9FN4O2S/c12-6-1-2-8(7(3-6)10(13)16-18)15-11(17)9-4-19-5-14-9/h1-5,18H,(H2,13,16)(H,15,17)
InChIKeyOGICCJKEIPOFMU-UHFFFAOYSA-N
XLogP1.63
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 107800652
N-(2-bromo-5-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 75425983
methyl 4-fluoro-2-(1,3-thiazole-4-carbonylamino)benzoate
CID 63047498
N-(5-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 63235854
N-[4-fluoro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 82685683
N-(2,6-difluoro-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 103097885
N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopentanecarboxamide
CID 82685115
N-(2-amino-4-bromophenyl)-1,3-thiazole-4-carboxamide
CID 63024055
5-fluoro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]-2-methylbenzamide
CID 76932769
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 63047676
4-amino-2-(1,3-thiazole-4-carbonylamino)benzoic acid
CID 63116149
N-(3-carbamothioyl-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 63022696

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1,3-thiazole-4-carboxamide (CID 82685689) is N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1,3-thiazole-4-carboxamide is N/C(=N/O)c1cc(F)ccc1NC(=O)c1cscn1.
What is the InChIKey of N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is OGICCJKEIPOFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O2S/c12-6-1-2-8(7(3-6)10(13)16-18)15-11(17)9-4-19-5-14-9/h1-5,18H,(H2,13,16)(H,15,17).
What are the key properties of N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1,3-thiazole-4-carboxamide?
N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 280.28 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 82685689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).