2-[[5-(furan-2-yl)-1H-pyrazol-4-yl]-[4-(4-methoxyphenyl)phenyl]methyl]-1,3-thiazole

C24H19N3O2S — CID 142677876

IUPAC2-[[5-(furan-2-yl)-1H-pyrazol-4-yl]-[4-(4-methoxyphenyl)phenyl]methyl]-1,3-thiazole
SMILESCOc1ccc(-c2ccc(C(c3nccs3)c3cn[nH]c3-c3ccco3)cc2)cc1
InChIInChI=1S/C24H19N3O2S/c1-28-19-10-8-17(9-11-19)16-4-6-18(7-5-16)22(24-25-12-14-30-24)20-15-26-27-23(20)21-3-2-13-29-21/h2-15,22H,1H3,(H,26,27)
InChIKeyTUIALIRFZQVGFU-UHFFFAOYSA-N
MW413.50 g/mol
LogP5.98
Rot. Bonds6

About 2-[[5-(furan-2-yl)-1H-pyrazol-4-yl]-[4-(4-methoxyphenyl)phenyl]methyl]-1,3-thiazole

2-[[5-(furan-2-yl)-1H-pyrazol-4-yl]-[4-(4-methoxyphenyl)phenyl]methyl]-1,3-thiazole (PubChem CID 142677876) has the molecular formula C24H19N3O2S and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-[[5-(furan-2-yl)-1H-pyrazol-4-yl]-[4-(4-methoxyphenyl)phenyl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[5-(furan-2-yl)-1H-pyrazol-4-yl]-[4-(4-methoxyphenyl)phenyl]methyl]-1,3-thiazole
PubChem CID142677876
Molecular FormulaC24H19N3O2S
Molecular Weight413.50 g/mol
Exact Mass413.12
IUPAC Name2-[[5-(furan-2-yl)-1H-pyrazol-4-yl]-[4-(4-methoxyphenyl)phenyl]methyl]-1,3-thiazole
SMILESCOc1ccc(-c2ccc(C(c3nccs3)c3cn[nH]c3-c3ccco3)cc2)cc1
InChIInChI=1S/C24H19N3O2S/c1-28-19-10-8-17(9-11-19)16-4-6-18(7-5-16)22(24-25-12-14-30-24)20-15-26-27-23(20)21-3-2-13-29-21/h2-15,22H,1H3,(H,26,27)
InChIKeyTUIALIRFZQVGFU-UHFFFAOYSA-N
XLogP5.98
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]methyl}-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 45198190
2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide
CID 68062253
2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide
CID 68062259
(1R)-N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 25456169
(1S)-N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 25456177
5-{[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl}-3-(2-furyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 28333870
(E)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile
CID 5740224
N-{[3-(1-benzofuran-2-yl)-1-benzyl-1H-pyrazol-4-yl]methyl}-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 45211411
1-{[5-(1H-pyrazol-3-yl)-2-furyl]methyl}-2-(1,3-thiazol-2-yl)piperidine
CID 77081199
1-[4-(2-phenyl-4-thiazolylmethoxy)benzyl]-3-(2-thienyl)-1H-pyrazole-4-carbaldehyde
CID 23024770
1-[[5-(furan-2-yl)-1H-pyrazol-4-yl]-(4-thiophen-3-ylphenyl)methyl]-4-methylpiperazine
CID 68435013
Methyl 6-[4-[3-methyl-2-[4-(1,3-thiazol-2-ylmethoxy)phenyl]butan-2-yl]phenyl]pyridazine-3-carboxylate
CID 68470171

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)-1H-pyrazol-4-yl]-[4-(4-methoxyphenyl)phenyl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[5-(furan-2-yl)-1H-pyrazol-4-yl]-[4-(4-methoxyphenyl)phenyl]methyl]-1,3-thiazole (CID 142677876) is 2-[[5-(furan-2-yl)-1H-pyrazol-4-yl]-[4-(4-methoxyphenyl)phenyl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[5-(furan-2-yl)-1H-pyrazol-4-yl]-[4-(4-methoxyphenyl)phenyl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[5-(furan-2-yl)-1H-pyrazol-4-yl]-[4-(4-methoxyphenyl)phenyl]methyl]-1,3-thiazole is COc1ccc(-c2ccc(C(c3nccs3)c3cn[nH]c3-c3ccco3)cc2)cc1.
What is the InChIKey of 2-[[5-(furan-2-yl)-1H-pyrazol-4-yl]-[4-(4-methoxyphenyl)phenyl]methyl]-1,3-thiazole?
The InChIKey is TUIALIRFZQVGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2S/c1-28-19-10-8-17(9-11-19)16-4-6-18(7-5-16)22(24-25-12-14-30-24)20-15-26-27-23(20)21-3-2-13-29-21/h2-15,22H,1H3,(H,26,27).
What are the key properties of 2-[[5-(furan-2-yl)-1H-pyrazol-4-yl]-[4-(4-methoxyphenyl)phenyl]methyl]-1,3-thiazole?
2-[[5-(furan-2-yl)-1H-pyrazol-4-yl]-[4-(4-methoxyphenyl)phenyl]methyl]-1,3-thiazole has a molecular weight of 413.50 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-2-yl)-1H-pyrazol-4-yl]-[4-(4-methoxyphenyl)phenyl]methyl]-1,3-thiazole is sourced from PubChem (CID 142677876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).