N-(4-bromophenyl)-2-(2-fluoroanilino)-4,5-dihydro-1,3-thiazole-4-carboxamide

C16H13BrFN3OS — CID 71169205

IUPACN-(4-bromophenyl)-2-(2-fluoroanilino)-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CSC(Nc2ccccc2F)=N1
InChIInChI=1S/C16H13BrFN3OS/c17-10-5-7-11(8-6-10)19-15(22)14-9-23-16(21-14)20-13-4-2-1-3-12(13)18/h1-8,14H,9H2,(H,19,22)(H,20,21)
InChIKeyQLANXDUTHZCDRZ-UHFFFAOYSA-N
MW394.27 g/mol
LogP4.11
Rot. Bonds3

About N-(4-bromophenyl)-2-(2-fluoroanilino)-4,5-dihydro-1,3-thiazole-4-carboxamide

N-(4-bromophenyl)-2-(2-fluoroanilino)-4,5-dihydro-1,3-thiazole-4-carboxamide (PubChem CID 71169205) has the molecular formula C16H13BrFN3OS and a molecular weight of 394.27 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2-fluoroanilino)-4,5-dihydro-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2-fluoroanilino)-4,5-dihydro-1,3-thiazole-4-carboxamide
PubChem CID71169205
Molecular FormulaC16H13BrFN3OS
Molecular Weight394.27 g/mol
Exact Mass392.99
IUPAC NameN-(4-bromophenyl)-2-(2-fluoroanilino)-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CSC(Nc2ccccc2F)=N1
InChIInChI=1S/C16H13BrFN3OS/c17-10-5-7-11(8-6-10)19-15(22)14-9-23-16(21-14)20-13-4-2-1-3-12(13)18/h1-8,14H,9H2,(H,19,22)(H,20,21)
InChIKeyQLANXDUTHZCDRZ-UHFFFAOYSA-N
XLogP4.11
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2-fluoroanilino)-4,5-dihydro-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-(2-fluoroanilino)-4,5-dihydro-1,3-thiazole-4-carboxamide (CID 71169205) is N-(4-bromophenyl)-2-(2-fluoroanilino)-4,5-dihydro-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(2-fluoroanilino)-4,5-dihydro-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-(2-fluoroanilino)-4,5-dihydro-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(Br)cc1)C1CSC(Nc2ccccc2F)=N1.
What is the InChIKey of N-(4-bromophenyl)-2-(2-fluoroanilino)-4,5-dihydro-1,3-thiazole-4-carboxamide?
The InChIKey is QLANXDUTHZCDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3OS/c17-10-5-7-11(8-6-10)19-15(22)14-9-23-16(21-14)20-13-4-2-1-3-12(13)18/h1-8,14H,9H2,(H,19,22)(H,20,21).
What are the key properties of N-(4-bromophenyl)-2-(2-fluoroanilino)-4,5-dihydro-1,3-thiazole-4-carboxamide?
N-(4-bromophenyl)-2-(2-fluoroanilino)-4,5-dihydro-1,3-thiazole-4-carboxamide has a molecular weight of 394.27 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(2-fluoroanilino)-4,5-dihydro-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71169205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).