N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C23H16N6O2S — CID 56522308

IUPACN-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnc(-c2cccc(O)c2)nc1)c1csc(-c2cnn(-c3ccccc3)c2)n1
InChIInChI=1S/C23H16N6O2S/c30-19-8-4-5-15(9-19)21-24-11-17(12-25-21)27-22(31)20-14-32-23(28-20)16-10-26-29(13-16)18-6-2-1-3-7-18/h1-14,30H,(H,27,31)
InChIKeyZWPRPNZPDFOMPU-UHFFFAOYSA-N
MW440.49 g/mol
LogP4.41
Rot. Bonds5

About N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 56522308) has the molecular formula C23H16N6O2S and a molecular weight of 440.49 g/mol. Its IUPAC name is N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID56522308
Molecular FormulaC23H16N6O2S
Molecular Weight440.49 g/mol
Exact Mass440.11
IUPAC NameN-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnc(-c2cccc(O)c2)nc1)c1csc(-c2cnn(-c3ccccc3)c2)n1
InChIInChI=1S/C23H16N6O2S/c30-19-8-4-5-15(9-19)21-24-11-17(12-25-21)27-22(31)20-14-32-23(28-20)16-10-26-29(13-16)18-6-2-1-3-7-18/h1-14,30H,(H,27,31)
InChIKeyZWPRPNZPDFOMPU-UHFFFAOYSA-N
XLogP4.41
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 56522308) is N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1cnc(-c2cccc(O)c2)nc1)c1csc(-c2cnn(-c3ccccc3)c2)n1.
What is the InChIKey of N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZWPRPNZPDFOMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6O2S/c30-19-8-4-5-15(9-19)21-24-11-17(12-25-21)27-22(31)20-14-32-23(28-20)16-10-26-29(13-16)18-6-2-1-3-7-18/h1-14,30H,(H,27,31).
What are the key properties of N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 440.49 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56522308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).