4-phenyl-2-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide

C23H21N3O4S — CID 52898221

IUPAC4-phenyl-2-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2sc(-n3cccc3)nc2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C23H21N3O4S/c1-28-17-13-16(14-18(29-2)20(17)30-3)24-22(27)21-19(15-9-5-4-6-10-15)25-23(31-21)26-11-7-8-12-26/h4-14H,1-3H3,(H,24,27)
InChIKeyKSDHCINVGVUDEH-UHFFFAOYSA-N
MW435.51 g/mol
LogP4.88
Rot. Bonds7

About 4-phenyl-2-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide

4-phenyl-2-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 52898221) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is 4-phenyl-2-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-phenyl-2-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
PubChem CID52898221
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC Name4-phenyl-2-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2sc(-n3cccc3)nc2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C23H21N3O4S/c1-28-17-13-16(14-18(29-2)20(17)30-3)24-22(27)21-19(15-9-5-4-6-10-15)25-23(31-21)26-11-7-8-12-26/h4-14H,1-3H3,(H,24,27)
InChIKeyKSDHCINVGVUDEH-UHFFFAOYSA-N
XLogP4.88
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 52898394
N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 124848878
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 7998095
5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 17396165
N-(3-chloro-4-methoxyphenyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 9083062
4-(4-methoxyphenyl)-2-pyrrol-1-yl-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide
CID 10218138
2,4-diphenyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 24503927
2-amino-N-(3-chloro-4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115631
5-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-4-carboxamide
CID 17411393
2-tert-butyl-4-methyl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 48980632
2-(4-methylpiperazin-1-yl)-N,4-diphenyl-1,3-thiazole-5-carboxamide;hydrochloride
CID 42914913
3,4,5-trimethoxy-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide
CID 46392754

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-phenyl-2-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide (CID 52898221) is 4-phenyl-2-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-phenyl-2-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-phenyl-2-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide is COc1cc(NC(=O)c2sc(-n3cccc3)nc2-c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 4-phenyl-2-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is KSDHCINVGVUDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-28-17-13-16(14-18(29-2)20(17)30-3)24-22(27)21-19(15-9-5-4-6-10-15)25-23(31-21)26-11-7-8-12-26/h4-14H,1-3H3,(H,24,27).
What are the key properties of 4-phenyl-2-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
4-phenyl-2-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 435.51 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 52898221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).