N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide

C25H20N2O4S — CID 2464070

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)C3c4ccccc4Oc4ccccc43)n2)c1
InChIInChI=1S/C25H20N2O4S/c1-29-15-11-12-20(30-2)18(13-15)19-14-32-25(26-19)27-24(28)23-16-7-3-5-9-21(16)31-22-10-6-4-8-17(22)23/h3-14,23H,1-2H3,(H,26,27,28)
InChIKeyPKJOYMCOBHRETQ-UHFFFAOYSA-N
MW444.51 g/mol
LogP5.70
Rot. Bonds5

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide (PubChem CID 2464070) has the molecular formula C25H20N2O4S and a molecular weight of 444.51 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide
PubChem CID2464070
Molecular FormulaC25H20N2O4S
Molecular Weight444.51 g/mol
Exact Mass444.11
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)C3c4ccccc4Oc4ccccc43)n2)c1
InChIInChI=1S/C25H20N2O4S/c1-29-15-11-12-20(30-2)18(13-15)19-14-32-25(26-19)27-24(28)23-16-7-3-5-9-21(16)31-22-10-6-4-8-17(22)23/h3-14,23H,1-2H3,(H,26,27,28)
InChIKeyPKJOYMCOBHRETQ-UHFFFAOYSA-N
XLogP5.70
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.51
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 2090691
N-(4-Methyl-1,3-thiazol-2-yl)-3-phenoxybenzamide
CID 2092675
N-(4-propan-2-yl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide
CID 127046038
N-(4-cyano-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide
CID 127047993
N-(4-phenyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide
CID 996522
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methyl-2-phenylacetamide
CID 1138502
N-[4-(2,5-Dimethoxy-phenyl)-thiazol-2-yl]-2-fluoro-benzamide
CID 1160658
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
CID 2091391
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 2109092
N-(4-(2,5-dimethoxyphenyl)thiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 2114184
N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide
CID 2127512
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(phenylsulfanyl)acetamide
CID 2476607

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide (CID 2464070) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide is COc1ccc(OC)c(-c2csc(NC(=O)C3c4ccccc4Oc4ccccc43)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide?
The InChIKey is PKJOYMCOBHRETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O4S/c1-29-15-11-12-20(30-2)18(13-15)19-14-32-25(26-19)27-24(28)23-16-7-3-5-9-21(16)31-22-10-6-4-8-17(22)23/h3-14,23H,1-2H3,(H,26,27,28).
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide has a molecular weight of 444.51 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 2464070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).