N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide

C15H9BrFN3OS — CID 60565091

IUPACN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2cccc(Br)c2)cs1)c1ccnc(F)c1
InChIInChI=1S/C15H9BrFN3OS/c16-11-3-1-2-9(6-11)12-8-22-15(19-12)20-14(21)10-4-5-18-13(17)7-10/h1-8H,(H,19,20,21)
InChIKeyIRHZJQQAARMUCW-UHFFFAOYSA-N
MW378.23 g/mol
LogP4.36
Rot. Bonds3

About N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide (PubChem CID 60565091) has the molecular formula C15H9BrFN3OS and a molecular weight of 378.23 g/mol. Its IUPAC name is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide
PubChem CID60565091
Molecular FormulaC15H9BrFN3OS
Molecular Weight378.23 g/mol
Exact Mass376.96
IUPAC NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2cccc(Br)c2)cs1)c1ccnc(F)c1
InChIInChI=1S/C15H9BrFN3OS/c16-11-3-1-2-9(6-11)12-8-22-15(19-12)20-14(21)10-4-5-18-13(17)7-10/h1-8H,(H,19,20,21)
InChIKeyIRHZJQQAARMUCW-UHFFFAOYSA-N
XLogP4.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 19195083
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 19195103
5-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 19196356
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide
CID 52733543
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide
CID 112760887
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(carbamoylamino)benzamide
CID 78775294
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 55334288
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 1179161
2-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194977
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 19197485
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 19195032
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-fluoropyridine-4-carboxamide
CID 54958473

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide (CID 60565091) is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide is O=C(Nc1nc(-c2cccc(Br)c2)cs1)c1ccnc(F)c1.
What is the InChIKey of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide?
The InChIKey is IRHZJQQAARMUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrFN3OS/c16-11-3-1-2-9(6-11)12-8-22-15(19-12)20-14(21)10-4-5-18-13(17)7-10/h1-8H,(H,19,20,21).
What are the key properties of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide?
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide has a molecular weight of 378.23 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 60565091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).