N-(4-fluorophenyl)-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide

C22H18FN3OS — CID 50837010

IUPACN-(4-fluorophenyl)-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide
SMILESCc1ccc(-c2csc(-c3cccn3CC(=O)Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C22H18FN3OS/c1-15-4-6-16(7-5-15)19-14-28-22(25-19)20-3-2-12-26(20)13-21(27)24-18-10-8-17(23)9-11-18/h2-12,14H,13H2,1H3,(H,24,27)
InChIKeyMIHYQIZZRFJKJV-UHFFFAOYSA-N
MW391.47 g/mol
LogP5.36
Rot. Bonds5

About N-(4-fluorophenyl)-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide

N-(4-fluorophenyl)-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide (PubChem CID 50837010) has the molecular formula C22H18FN3OS and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide
PubChem CID50837010
Molecular FormulaC22H18FN3OS
Molecular Weight391.47 g/mol
Exact Mass391.12
IUPAC NameN-(4-fluorophenyl)-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide
SMILESCc1ccc(-c2csc(-c3cccn3CC(=O)Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C22H18FN3OS/c1-15-4-6-16(7-5-15)19-14-28-22(25-19)20-3-2-12-26(20)13-21(27)24-18-10-8-17(23)9-11-18/h2-12,14H,13H2,1H3,(H,24,27)
InChIKeyMIHYQIZZRFJKJV-UHFFFAOYSA-N
XLogP5.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide
CID 50837076
N-cyclohexyl-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide
CID 50836966
N-(4-fluorophenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 4544119
N-(2-methoxy-5-methylphenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide
CID 53037423
2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-N-(4-methyl-2-pyridinyl)acetamide
CID 50836356
N,N-diethyl-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide
CID 53037462
1-(azepan-1-yl)-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]ethanone
CID 46393435
2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 53131994
2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone
CID 53037463
N-benzyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide
CID 50837140
2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-N-cyclopropylacetamide
CID 53037477
N'-(4-fluorophenyl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanediamide
CID 108762347

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide (CID 50837010) is N-(4-fluorophenyl)-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide is Cc1ccc(-c2csc(-c3cccn3CC(=O)Nc3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide?
The InChIKey is MIHYQIZZRFJKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3OS/c1-15-4-6-16(7-5-15)19-14-28-22(25-19)20-3-2-12-26(20)13-21(27)24-18-10-8-17(23)9-11-18/h2-12,14H,13H2,1H3,(H,24,27).
What are the key properties of N-(4-fluorophenyl)-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide?
N-(4-fluorophenyl)-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide has a molecular weight of 391.47 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 50837010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).