2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole

C23H19N3OS — CID 70686238

IUPAC2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESCc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3ccco3)C2)cc1
InChIInChI=1S/C23H19N3OS/c1-16-9-11-18(12-10-16)19-14-21(22-8-5-13-27-22)26(25-19)23-24-20(15-28-23)17-6-3-2-4-7-17/h2-13,15,21H,14H2,1H3
InChIKeyFGFGYTACVSWPMK-UHFFFAOYSA-N
MW385.49 g/mol
LogP6.07
Rot. Bonds4

About 2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole

2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (PubChem CID 70686238) has the molecular formula C23H19N3OS and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
PubChem CID70686238
Molecular FormulaC23H19N3OS
Molecular Weight385.49 g/mol
Exact Mass385.12
IUPAC Name2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESCc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3ccco3)C2)cc1
InChIInChI=1S/C23H19N3OS/c1-16-9-11-18(12-10-16)19-14-21(22-8-5-13-27-22)26(25-19)23-24-20(15-28-23)17-6-3-2-4-7-17/h2-13,15,21H,14H2,1H3
InChIKeyFGFGYTACVSWPMK-UHFFFAOYSA-N
XLogP6.07
TPSA41.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(1-Benzofuran-2-yl)-1,3-thiazol-2-yl]morpholine
CID 2484138
4-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 2469776
2-[2-[3-(Furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 4884442
(2-(Benzyl(furan-2-ylmethyl)amino)-4-(furan-2-yl)thiazol-5-yl)(phenyl)methanone
CID 25211166
(4-(Furan-2-yl)-2-(3-phenylpropylamino)thiazol-5-yl)(phenyl)methanone
CID 44581429
(4-(Furan-2-yl)-2-((furan-2-ylmethyl)(methyl)amino)thiazol-5-yl)(phenyl)methanone
CID 44581432
5-benzyl-4-(2-furyl)-N-[(4-methoxyphenyl)methyl]thiazol-2-amine
CID 72706127
5-benzyl-N-(2-furylmethyl)-4-(4-methoxyphenyl)thiazol-2-amine
CID 72706882
Furan-2-carboxylic acid (tetrahydro-furan-2-ylmethyl)-(4-p-tolyl-thiazol-2-yl)-amide
CID 648656
N-Furan-2-ylmethyl-N-(4-phenyl-thiazol-2-yl)-propionamide
CID 651338
Furan-2-ylmethyl-[4-(4-methoxy-phenyl)-thiazol-2-yl]-amine
CID 652138
N-Furan-2-ylmethyl-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-propionamide
CID 862712

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (CID 70686238) is 2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole is Cc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3ccco3)C2)cc1.
What is the InChIKey of 2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The InChIKey is FGFGYTACVSWPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3OS/c1-16-9-11-18(12-10-16)19-14-21(22-8-5-13-27-22)26(25-19)23-24-20(15-28-23)17-6-3-2-4-7-17/h2-13,15,21H,14H2,1H3.
What are the key properties of 2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole has a molecular weight of 385.49 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 70686238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).