N-[2-[4-(4-bromophenoxy)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide

C32H20BrFN2O2S — CID 163347422

IUPACN-[2-[4-(4-bromophenoxy)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide
SMILESO=C(Nc1sc(-c2ccc(Oc3ccc(Br)cc3)cc2)nc1-c1ccc(F)cc1)c1cccc2ccccc12
InChIInChI=1S/C32H20BrFN2O2S/c33-23-12-18-26(19-13-23)38-25-16-10-22(11-17-25)31-35-29(21-8-14-24(34)15-9-21)32(39-31)36-30(37)28-7-3-5-20-4-1-2-6-27(20)28/h1-19H,(H,36,37)
InChIKeyOSWAWSZJEKITSJ-UHFFFAOYSA-N
MW595.49 g/mol
LogP9.58
Rot. Bonds6

About N-[2-[4-(4-bromophenoxy)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide

N-[2-[4-(4-bromophenoxy)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide (PubChem CID 163347422) has the molecular formula C32H20BrFN2O2S and a molecular weight of 595.49 g/mol. Its IUPAC name is N-[2-[4-(4-bromophenoxy)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-bromophenoxy)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide
PubChem CID163347422
Molecular FormulaC32H20BrFN2O2S
Molecular Weight595.49 g/mol
Exact Mass594.04
IUPAC NameN-[2-[4-(4-bromophenoxy)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide
SMILESO=C(Nc1sc(-c2ccc(Oc3ccc(Br)cc3)cc2)nc1-c1ccc(F)cc1)c1cccc2ccccc12
InChIInChI=1S/C32H20BrFN2O2S/c33-23-12-18-26(19-13-23)38-25-16-10-22(11-17-25)31-35-29(21-8-14-24(34)15-9-21)32(39-31)36-30(37)28-7-3-5-20-4-1-2-6-27(20)28/h1-19H,(H,36,37)
InChIKeyOSWAWSZJEKITSJ-UHFFFAOYSA-N
XLogP9.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.49
LogP ≤ 59.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide
CID 23966330
N-[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide
CID 163347610
N-[5-[4-(4-bromophenoxy)phenyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
CID 155943154
N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]naphthalene-1-carboxamide
CID 163347337
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 4200975
N-[5-(naphthalene-1-carbonylamino)-4-phenyl-1,3-thiazol-2-yl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide
CID 163347634
ethyl N-[2-[4-(4-chlorophenoxy)phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate
CID 91900913
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide
CID 108752306
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2,3-dimethoxybenzamide
CID 16813829
ethyl 3-(4-fluorophenyl)-5-(naphthalene-1-carbonylamino)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
CID 3255947
4-bromo-N-[5-[4-(4-bromophenoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 155943213
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]naphthalene-1-carboxamide
CID 3100049

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-bromophenoxy)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-[4-(4-bromophenoxy)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide (CID 163347422) is N-[2-[4-(4-bromophenoxy)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[4-(4-bromophenoxy)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-[4-(4-bromophenoxy)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide is O=C(Nc1sc(-c2ccc(Oc3ccc(Br)cc3)cc2)nc1-c1ccc(F)cc1)c1cccc2ccccc12.
What is the InChIKey of N-[2-[4-(4-bromophenoxy)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide?
The InChIKey is OSWAWSZJEKITSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20BrFN2O2S/c33-23-12-18-26(19-13-23)38-25-16-10-22(11-17-25)31-35-29(21-8-14-24(34)15-9-21)32(39-31)36-30(37)28-7-3-5-20-4-1-2-6-27(20)28/h1-19H,(H,36,37).
What are the key properties of N-[2-[4-(4-bromophenoxy)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide?
N-[2-[4-(4-bromophenoxy)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide has a molecular weight of 595.49 g/mol, XLogP of 9.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-bromophenoxy)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 163347422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).