N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-pyrrol-1-ylbenzamide

C22H19N3OS — CID 108737407

IUPACN-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-pyrrol-1-ylbenzamide
SMILESCc1ccccc1-c1nc(CNC(=O)c2ccc(-n3cccc3)cc2)cs1
InChIInChI=1S/C22H19N3OS/c1-16-6-2-3-7-20(16)22-24-18(15-27-22)14-23-21(26)17-8-10-19(11-9-17)25-12-4-5-13-25/h2-13,15H,14H2,1H3,(H,23,26)
InChIKeyCABYWCZBRSUXGO-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.84
Rot. Bonds5

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

N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-pyrrol-1-ylbenzamide (PubChem CID 108737407) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-pyrrol-1-ylbenzamide
PubChem CID108737407
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC NameN-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-pyrrol-1-ylbenzamide
SMILESCc1ccccc1-c1nc(CNC(=O)c2ccc(-n3cccc3)cc2)cs1
InChIInChI=1S/C22H19N3OS/c1-16-6-2-3-7-20(16)22-24-18(15-27-22)14-23-21(26)17-8-10-19(11-9-17)25-12-4-5-13-25/h2-13,15H,14H2,1H3,(H,23,26)
InChIKeyCABYWCZBRSUXGO-UHFFFAOYSA-N
XLogP4.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]-4-pyrrol-1-ylbenzamide
CID 108749141
3-fluoro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108737461
3-chloro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108760326
2-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108737460
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]butanamide
CID 108737483
5-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide
CID 108737493
4-(4-methylphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-oxobutanamide
CID 108737518
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]cyclohexanecarboxamide
CID 108760316
2-(1,3-dioxoisoindol-2-yl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108760341
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 108810114
3,4,5-trimethoxy-N-[2-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methylamino]-2-oxoethyl]benzamide
CID 108760331
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55753809

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-pyrrol-1-ylbenzamide (CID 108737407) is N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-pyrrol-1-ylbenzamide is Cc1ccccc1-c1nc(CNC(=O)c2ccc(-n3cccc3)cc2)cs1.
What is the InChIKey of N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is CABYWCZBRSUXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-16-6-2-3-7-20(16)22-24-18(15-27-22)14-23-21(26)17-8-10-19(11-9-17)25-12-4-5-13-25/h2-13,15H,14H2,1H3,(H,23,26).
What are the key properties of N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-pyrrol-1-ylbenzamide?
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 373.48 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 108737407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).