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

C17H12N2O2S — CID 4125492

IUPACN-(1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide
SMILESO=C(Nc1nccs1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C17H12N2O2S/c20-16(19-17-18-9-10-22-17)15-11-5-1-3-7-13(11)21-14-8-4-2-6-12(14)15/h1-10,15H,(H,18,19,20)
InChIKeyOHPWCFZNMSTUHB-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.02
Rot. Bonds2

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

N-(1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide (PubChem CID 4125492) has the molecular formula C17H12N2O2S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide
PubChem CID4125492
Molecular FormulaC17H12N2O2S
Molecular Weight308.36 g/mol
Exact Mass308.06
IUPAC NameN-(1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide
SMILESO=C(Nc1nccs1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C17H12N2O2S/c20-16(19-17-18-9-10-22-17)15-11-5-1-3-7-13(11)21-14-8-4-2-6-12(14)15/h1-10,15H,(H,18,19,20)
InChIKeyOHPWCFZNMSTUHB-UHFFFAOYSA-N
XLogP4.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide (CID 4125492) is N-(1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide is O=C(Nc1nccs1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-(1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide?
The InChIKey is OHPWCFZNMSTUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2S/c20-16(19-17-18-9-10-22-17)15-11-5-1-3-7-13(11)21-14-8-4-2-6-12(14)15/h1-10,15H,(H,18,19,20).
What are the key properties of N-(1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide?
N-(1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 4125492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).