4-(4-fluorophenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide

C23H20FN3OS — CID 90547242

IUPAC4-(4-fluorophenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESCc1ccccc1-c1nc(C)c(CNC(=O)c2cc(-c3ccc(F)cc3)c[nH]2)s1
InChIInChI=1S/C23H20FN3OS/c1-14-5-3-4-6-19(14)23-27-15(2)21(29-23)13-26-22(28)20-11-17(12-25-20)16-7-9-18(24)10-8-16/h3-12,25H,13H2,1-2H3,(H,26,28)
InChIKeyNZDHIJUNRPHZIB-UHFFFAOYSA-N
MW405.50 g/mol
LogP5.49
Rot. Bonds5

About 4-(4-fluorophenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide

4-(4-fluorophenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 90547242) has the molecular formula C23H20FN3OS and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID90547242
Molecular FormulaC23H20FN3OS
Molecular Weight405.50 g/mol
Exact Mass405.13
IUPAC Name4-(4-fluorophenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESCc1ccccc1-c1nc(C)c(CNC(=O)c2cc(-c3ccc(F)cc3)c[nH]2)s1
InChIInChI=1S/C23H20FN3OS/c1-14-5-3-4-6-19(14)23-27-15(2)21(29-23)13-26-22(28)20-11-17(12-25-20)16-7-9-18(24)10-8-16/h3-12,25H,13H2,1-2H3,(H,26,28)
InChIKeyNZDHIJUNRPHZIB-UHFFFAOYSA-N
XLogP5.49
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
CID 90546989
2-(1H-indol-3-yl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide
CID 90547081
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 71795481
4-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
CID 90547060
1-(3-fluorophenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
CID 90547279
3-methoxy-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
CID 90546993
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide
CID 90547206
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-4-phenoxybenzamide
CID 90547190
2-(4-fluorophenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546282
3-(2-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 90547204
1-(3-methoxyphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
CID 90547272
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 121123179

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide (CID 90547242) is 4-(4-fluorophenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide is Cc1ccccc1-c1nc(C)c(CNC(=O)c2cc(-c3ccc(F)cc3)c[nH]2)s1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is NZDHIJUNRPHZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3OS/c1-14-5-3-4-6-19(14)23-27-15(2)21(29-23)13-26-22(28)20-11-17(12-25-20)16-7-9-18(24)10-8-16/h3-12,25H,13H2,1-2H3,(H,26,28).
What are the key properties of 4-(4-fluorophenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide?
4-(4-fluorophenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 5.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 90547242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).