5-bromo-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-3-carboxamide

C15H10BrFN2OS2 — CID 39323871

IUPAC5-bromo-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-3-carboxamide
SMILESCc1sc(NC(=O)c2csc(Br)c2)nc1-c1ccc(F)cc1
InChIInChI=1S/C15H10BrFN2OS2/c1-8-13(9-2-4-11(17)5-3-9)18-15(22-8)19-14(20)10-6-12(16)21-7-10/h2-7H,1H3,(H,18,19,20)
InChIKeySPZJOPBRJZMJCT-UHFFFAOYSA-N
MW397.29 g/mol
LogP5.33
Rot. Bonds3

About 5-bromo-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-3-carboxamide

5-bromo-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-3-carboxamide (PubChem CID 39323871) has the molecular formula C15H10BrFN2OS2 and a molecular weight of 397.29 g/mol. Its IUPAC name is 5-bromo-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-3-carboxamide
PubChem CID39323871
Molecular FormulaC15H10BrFN2OS2
Molecular Weight397.29 g/mol
Exact Mass395.94
IUPAC Name5-bromo-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-3-carboxamide
SMILESCc1sc(NC(=O)c2csc(Br)c2)nc1-c1ccc(F)cc1
InChIInChI=1S/C15H10BrFN2OS2/c1-8-13(9-2-4-11(17)5-3-9)18-15(22-8)19-14(20)10-6-12(16)21-7-10/h2-7H,1H3,(H,18,19,20)
InChIKeySPZJOPBRJZMJCT-UHFFFAOYSA-N
XLogP5.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.29
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3151931
2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 7769422
4-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-iodobenzamide
CID 38915062
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 954460
4-[4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 56549045
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 119266982
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-cyanobenzamide
CID 9094383
3,4-dimethyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 868794
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 5-bromo-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-3-carboxamide (CID 39323871) is 5-bromo-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-3-carboxamide is Cc1sc(NC(=O)c2csc(Br)c2)nc1-c1ccc(F)cc1.
What is the InChIKey of 5-bromo-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-3-carboxamide?
The InChIKey is SPZJOPBRJZMJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2OS2/c1-8-13(9-2-4-11(17)5-3-9)18-15(22-8)19-14(20)10-6-12(16)21-7-10/h2-7H,1H3,(H,18,19,20).
What are the key properties of 5-bromo-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-3-carboxamide?
5-bromo-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-3-carboxamide has a molecular weight of 397.29 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 39323871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).