2-anilino-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide

C21H16N4OS — CID 1180751

IUPAC2-anilino-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cccnc1)c1sc(Nc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H16N4OS/c26-20(23-17-12-7-13-22-14-17)19-18(15-8-3-1-4-9-15)25-21(27-19)24-16-10-5-2-6-11-16/h1-14H,(H,23,26)(H,24,25)
InChIKeyDKLQPJVTAQCXQU-UHFFFAOYSA-N
MW372.45 g/mol
LogP5.20
Rot. Bonds5

About 2-anilino-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide

2-anilino-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 1180751) has the molecular formula C21H16N4OS and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-anilino-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-anilino-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID1180751
Molecular FormulaC21H16N4OS
Molecular Weight372.45 g/mol
Exact Mass372.10
IUPAC Name2-anilino-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cccnc1)c1sc(Nc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H16N4OS/c26-20(23-17-12-7-13-22-14-17)19-18(15-8-3-1-4-9-15)25-21(27-19)24-16-10-5-2-6-11-16/h1-14H,(H,23,26)(H,24,25)
InChIKeyDKLQPJVTAQCXQU-UHFFFAOYSA-N
XLogP5.20
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.45
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-anilino-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 1180751) is 2-anilino-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-anilino-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-anilino-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide is O=C(Nc1cccnc1)c1sc(Nc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2-anilino-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is DKLQPJVTAQCXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4OS/c26-20(23-17-12-7-13-22-14-17)19-18(15-8-3-1-4-9-15)25-21(27-19)24-16-10-5-2-6-11-16/h1-14H,(H,23,26)(H,24,25).
What are the key properties of 2-anilino-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
2-anilino-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1180751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).