2-(4-fluorophenyl)-N-(4-hexoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C23H25FN2O2S — CID 108788224

IUPAC2-(4-fluorophenyl)-N-(4-hexoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCCCOc1ccc(NC(=O)c2sc(-c3ccc(F)cc3)nc2C)cc1
InChIInChI=1S/C23H25FN2O2S/c1-3-4-5-6-15-28-20-13-11-19(12-14-20)26-22(27)21-16(2)25-23(29-21)17-7-9-18(24)10-8-17/h7-14H,3-6,15H2,1-2H3,(H,26,27)
InChIKeyZLFWAAMEDBNGKH-UHFFFAOYSA-N
MW412.53 g/mol
LogP6.47
Rot. Bonds9

About 2-(4-fluorophenyl)-N-(4-hexoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

2-(4-fluorophenyl)-N-(4-hexoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 108788224) has the molecular formula C23H25FN2O2S and a molecular weight of 412.53 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(4-hexoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(4-hexoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID108788224
Molecular FormulaC23H25FN2O2S
Molecular Weight412.53 g/mol
Exact Mass412.16
IUPAC Name2-(4-fluorophenyl)-N-(4-hexoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCCCOc1ccc(NC(=O)c2sc(-c3ccc(F)cc3)nc2C)cc1
InChIInChI=1S/C23H25FN2O2S/c1-3-4-5-6-15-28-20-13-11-19(12-14-20)26-22(27)21-16(2)25-23(29-21)17-7-9-18(24)10-8-17/h7-14H,3-6,15H2,1-2H3,(H,26,27)
InChIKeyZLFWAAMEDBNGKH-UHFFFAOYSA-N
XLogP6.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(carbamoylamino)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 33153477
2-(4-fluorophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55624281
2-methylpropyl 4-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]benzoate
CID 108788246
propyl 3-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]benzoate
CID 108801151
N-(2-ethoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 9192368
N'-(4-butoxybenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 7970481
N-(4-heptoxyphenyl)-4-(4-methoxyphenyl)benzamide
CID 101044220
4-methyl-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 4980405
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 9400718
2-(4-ethoxyphenyl)-4-methyl-N-quinolin-3-yl-1,3-thiazole-5-carboxamide
CID 39117598
2-(4-fluorophenyl)-N-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 78823798
2-benzyl-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55657916

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(4-hexoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(4-hexoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 108788224) is 2-(4-fluorophenyl)-N-(4-hexoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(4-hexoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(4-hexoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is CCCCCCOc1ccc(NC(=O)c2sc(-c3ccc(F)cc3)nc2C)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(4-hexoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZLFWAAMEDBNGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2S/c1-3-4-5-6-15-28-20-13-11-19(12-14-20)26-22(27)21-16(2)25-23(29-21)17-7-9-18(24)10-8-17/h7-14H,3-6,15H2,1-2H3,(H,26,27).
What are the key properties of 2-(4-fluorophenyl)-N-(4-hexoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(4-fluorophenyl)-N-(4-hexoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 6.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(4-hexoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 108788224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).