N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide

C20H19FN2OS — CID 1406576

IUPACN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
SMILESCc1sc(NC(=O)c2ccc(C(C)C)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C20H19FN2OS/c1-12(2)14-4-6-16(7-5-14)19(24)23-20-22-18(13(3)25-20)15-8-10-17(21)11-9-15/h4-12H,1-3H3,(H,22,23,24)
InChIKeyDJJJFLADKBRRIU-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.63
Rot. Bonds4

About N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide

N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide (PubChem CID 1406576) has the molecular formula C20H19FN2OS and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
PubChem CID1406576
Molecular FormulaC20H19FN2OS
Molecular Weight354.45 g/mol
Exact Mass354.12
IUPAC NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
SMILESCc1sc(NC(=O)c2ccc(C(C)C)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C20H19FN2OS/c1-12(2)14-4-6-16(7-5-14)19(24)23-20-22-18(13(3)25-20)15-8-10-17(21)11-9-15/h4-12H,1-3H3,(H,22,23,24)
InChIKeyDJJJFLADKBRRIU-UHFFFAOYSA-N
XLogP5.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
4-[4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 56549045
5-bromo-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 39323871
4-tert-butyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1185902
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]thiophene-2-carboxamide
CID 3151931
4-acetamido-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 9094369
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 119266982
4-fluoro-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 164687705
4-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 47082872
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26291645

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide (CID 1406576) is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide is Cc1sc(NC(=O)c2ccc(C(C)C)cc2)nc1-c1ccc(F)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide?
The InChIKey is DJJJFLADKBRRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2OS/c1-12(2)14-4-6-16(7-5-14)19(24)23-20-22-18(13(3)25-20)15-8-10-17(21)11-9-15/h4-12H,1-3H3,(H,22,23,24).
What are the key properties of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide?
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 1406576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).