N-(4-phenyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide

C23H16N2O2S — CID 996522

IUPACN-(4-phenyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C23H16N2O2S/c26-22(25-23-24-18(14-28-23)15-8-2-1-3-9-15)21-16-10-4-6-12-19(16)27-20-13-7-5-11-17(20)21/h1-14,21H,(H,24,25,26)
InChIKeyMKABONFQPZQDSG-UHFFFAOYSA-N
MW384.46 g/mol
LogP5.69
Rot. Bonds3

About N-(4-phenyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide

N-(4-phenyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide (PubChem CID 996522) has the molecular formula C23H16N2O2S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-(4-phenyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(4-phenyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide
PubChem CID996522
Molecular FormulaC23H16N2O2S
Molecular Weight384.46 g/mol
Exact Mass384.09
IUPAC NameN-(4-phenyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C23H16N2O2S/c26-22(25-23-24-18(14-28-23)15-8-2-1-3-9-15)21-16-10-4-6-12-19(16)27-20-13-7-5-11-17(20)21/h1-14,21H,(H,24,25,26)
InChIKeyMKABONFQPZQDSG-UHFFFAOYSA-N
XLogP5.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.46
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-oxo-N-(4-phenylthiazol-2-yl)-4H-chromene-2-carboxamide
CID 746084
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
CID 2091391
N-(4-(3,4-difluorophenyl)thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 2109085
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 2109092
N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide
CID 2127512
N-(4-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)thiazol-2-yl)cyclopentanecarboxamide
CID 2443447
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide
CID 2464070
N-(1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide
CID 2862916
N-(4-(4-fluorophenyl)thiazol-2-yl)-4-oxo-4H-chromene-2-carboxamide
CID 3392320

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide (CID 996522) is N-(4-phenyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(4-phenyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(4-phenyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide is O=C(Nc1nc(-c2ccccc2)cs1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-(4-phenyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide?
The InChIKey is MKABONFQPZQDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O2S/c26-22(25-23-24-18(14-28-23)15-8-2-1-3-9-15)21-16-10-4-6-12-19(16)27-20-13-7-5-11-17(20)21/h1-14,21H,(H,24,25,26).
What are the key properties of N-(4-phenyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide?
N-(4-phenyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 996522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).