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

C22H15N3O2S — CID 2127512

IUPACN-(4-pyridin-4-yl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide
SMILESO=C(Nc1nc(-c2ccncc2)cs1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C22H15N3O2S/c26-21(25-22-24-17(13-28-22)14-9-11-23-12-10-14)20-15-5-1-3-7-18(15)27-19-8-4-2-6-16(19)20/h1-13,20H,(H,24,25,26)
InChIKeyZSHXUZHGBWGPRW-UHFFFAOYSA-N
MW385.45 g/mol
LogP5.08
Rot. Bonds3

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

N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide (PubChem CID 2127512) has the molecular formula C22H15N3O2S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(4-pyridin-4-yl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide
PubChem CID2127512
Molecular FormulaC22H15N3O2S
Molecular Weight385.45 g/mol
Exact Mass385.09
IUPAC NameN-(4-pyridin-4-yl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide
SMILESO=C(Nc1nc(-c2ccncc2)cs1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C22H15N3O2S/c26-21(25-22-24-17(13-28-22)14-9-11-23-12-10-14)20-15-5-1-3-7-18(15)27-19-8-4-2-6-16(19)20/h1-13,20H,(H,24,25,26)
InChIKeyZSHXUZHGBWGPRW-UHFFFAOYSA-N
XLogP5.08
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.45
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Methoxyphenyl)-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]acetamide
CID 4803142
N-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 24832012
2-{3-[3-(Piperidin-4-Yl)propoxy]phenyl}-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]acetamide
CID 60097413
US10251893, Cpd 6
CID 46926811
2-(2-methylphenoxy)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 8123738
2-{[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]thio}-N-1,3-thiazol-2-ylacetamide
CID 1258567
2-(4-methoxyphenyl)-N-(4-(pyridin-4-yl)thiazol-2-yl)acetamide
CID 2123970
3-methoxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 5121654
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzamide
CID 5143831
N-(4-(pyridin-2-yl)thiazol-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide
CID 5199136
2-(3-methoxyphenyl)-N-[4-[2-(methylamino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide
CID 24829572
2-(3-methoxyphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide
CID 24829746

Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide (CID 2127512) is N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide is O=C(Nc1nc(-c2ccncc2)cs1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide?
The InChIKey is ZSHXUZHGBWGPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2S/c26-21(25-22-24-17(13-28-22)14-9-11-23-12-10-14)20-15-5-1-3-7-18(15)27-19-8-4-2-6-16(19)20/h1-13,20H,(H,24,25,26).
What are the key properties of N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide?
N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 2127512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).