2-(furan-2-yl)-N-(2-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide

C20H14N2O3S — CID 36766447

IUPAC2-(furan-2-yl)-N-(2-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccccc1O)c1sc(-c2ccco2)nc1-c1ccccc1
InChIInChI=1S/C20H14N2O3S/c23-15-10-5-4-9-14(15)21-19(24)18-17(13-7-2-1-3-8-13)22-20(26-18)16-11-6-12-25-16/h1-12,23H,(H,21,24)
InChIKeyXZWAXJOVPHLAKC-UHFFFAOYSA-N
MW362.41 g/mol
LogP5.03
Rot. Bonds4

About 2-(furan-2-yl)-N-(2-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide

2-(furan-2-yl)-N-(2-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 36766447) has the molecular formula C20H14N2O3S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(2-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(2-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID36766447
Molecular FormulaC20H14N2O3S
Molecular Weight362.41 g/mol
Exact Mass362.07
IUPAC Name2-(furan-2-yl)-N-(2-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccccc1O)c1sc(-c2ccco2)nc1-c1ccccc1
InChIInChI=1S/C20H14N2O3S/c23-15-10-5-4-9-14(15)21-19(24)18-17(13-7-2-1-3-8-13)22-20(26-18)16-11-6-12-25-16/h1-12,23H,(H,21,24)
InChIKeyXZWAXJOVPHLAKC-UHFFFAOYSA-N
XLogP5.03
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.41
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(furan-2-yl)-N-(1-methylpyrazol-4-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 32608675
2-(furan-2-yl)-4-phenyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119385843
N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 46666287
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119455202
2-(furan-2-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 56552353
N-(3,4-dihydro-2H-chromen-4-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 46551376
2-(furan-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 55610356
[2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 36704275
2-(furan-2-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 55585334
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 36799563
5-(furan-2-yl)-N-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 24739268
N'-[2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 36757551

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-(2-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-(2-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide (CID 36766447) is 2-(furan-2-yl)-N-(2-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-(2-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-(2-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide is O=C(Nc1ccccc1O)c1sc(-c2ccco2)nc1-c1ccccc1.
What is the InChIKey of 2-(furan-2-yl)-N-(2-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is XZWAXJOVPHLAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3S/c23-15-10-5-4-9-14(15)21-19(24)18-17(13-7-2-1-3-8-13)22-20(26-18)16-11-6-12-25-16/h1-12,23H,(H,21,24).
What are the key properties of 2-(furan-2-yl)-N-(2-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
2-(furan-2-yl)-N-(2-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-(2-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 36766447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).