4-[4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide

C24H18FN3O3S — CID 56549045

IUPAC4-[4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
SMILESCc1sc(NC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C24H18FN3O3S/c1-14-21(15-2-8-18(25)9-3-15)27-24(32-14)28-23(30)17-6-12-20(13-7-17)31-19-10-4-16(5-11-19)22(26)29/h2-13H,1H3,(H2,26,29)(H,27,28,30)
InChIKeyJDADUKOMCRIQGJ-UHFFFAOYSA-N
MW447.49 g/mol
LogP5.40
Rot. Bonds6

About 4-[4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide

4-[4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide (PubChem CID 56549045) has the molecular formula C24H18FN3O3S and a molecular weight of 447.49 g/mol. Its IUPAC name is 4-[4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
PubChem CID56549045
Molecular FormulaC24H18FN3O3S
Molecular Weight447.49 g/mol
Exact Mass447.11
IUPAC Name4-[4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
SMILESCc1sc(NC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C24H18FN3O3S/c1-14-21(15-2-8-18(25)9-3-15)27-24(32-14)28-23(30)17-6-12-20(13-7-17)31-19-10-4-16(5-11-19)22(26)29/h2-13H,1H3,(H2,26,29)(H,27,28,30)
InChIKeyJDADUKOMCRIQGJ-UHFFFAOYSA-N
XLogP5.40
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.49
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470
4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304857
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 1406576
4-tert-butyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 1315978
N-[5-[4-(4-fluorophenoxy)phenyl]-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 139582491
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 119266982
5-bromo-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 39323871
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177617
4-tert-butyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1185902
4-(2,5-dimethylpyrrol-1-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 7916056
2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 7769422
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-pyridin-2-yloxybenzamide
CID 90596793

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide (CID 56549045) is 4-[4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide is Cc1sc(NC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)nc1-c1ccc(F)cc1.
What is the InChIKey of 4-[4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide?
The InChIKey is JDADUKOMCRIQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O3S/c1-14-21(15-2-8-18(25)9-3-15)27-24(32-14)28-23(30)17-6-12-20(13-7-17)31-19-10-4-16(5-11-19)22(26)29/h2-13H,1H3,(H2,26,29)(H,27,28,30).
What are the key properties of 4-[4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide?
4-[4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide has a molecular weight of 447.49 g/mol, XLogP of 5.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56549045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).