2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole

C23H18FN3OS2 — CID 45150992

IUPAC2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(N3N=C(c4ccc(F)cc4)CC3c3cccs3)n2)cc1
InChIInChI=1S/C23H18FN3OS2/c1-28-18-10-6-16(7-11-18)20-14-30-23(25-20)27-21(22-3-2-12-29-22)13-19(26-27)15-4-8-17(24)9-5-15/h2-12,14,21H,13H2,1H3
InChIKeyHNFFFHDRLZCPFJ-UHFFFAOYSA-N
MW435.55 g/mol
LogP6.38
Rot. Bonds5

About 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole

2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole (PubChem CID 45150992) has the molecular formula C23H18FN3OS2 and a molecular weight of 435.55 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
PubChem CID45150992
Molecular FormulaC23H18FN3OS2
Molecular Weight435.55 g/mol
Exact Mass435.09
IUPAC Name2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(N3N=C(c4ccc(F)cc4)CC3c3cccs3)n2)cc1
InChIInChI=1S/C23H18FN3OS2/c1-28-18-10-6-16(7-11-18)20-14-30-23(25-20)27-21(22-3-2-12-29-22)13-19(26-27)15-4-8-17(24)9-5-15/h2-12,14,21H,13H2,1H3
InChIKeyHNFFFHDRLZCPFJ-UHFFFAOYSA-N
XLogP6.38
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.55
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole (CID 45150992) is 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole is COc1ccc(-c2csc(N3N=C(c4ccc(F)cc4)CC3c3cccs3)n2)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole?
The InChIKey is HNFFFHDRLZCPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3OS2/c1-28-18-10-6-16(7-11-18)20-14-30-23(25-20)27-21(22-3-2-12-29-22)13-19(26-27)15-4-8-17(24)9-5-15/h2-12,14,21H,13H2,1H3.
What are the key properties of 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole?
2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole has a molecular weight of 435.55 g/mol, XLogP of 6.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 45150992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).