4-(2,5-dimethoxyphenyl)-2-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole

C24H21N3O2S2 — CID 45151510

IUPAC4-(2,5-dimethoxyphenyl)-2-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole
SMILESCOc1ccc(OC)c(-c2csc(N3N=C(c4cccs4)CC3c3ccccc3)n2)c1
InChIInChI=1S/C24H21N3O2S2/c1-28-17-10-11-22(29-2)18(13-17)20-15-31-24(25-20)27-21(16-7-4-3-5-8-16)14-19(26-27)23-9-6-12-30-23/h3-13,15,21H,14H2,1-2H3
InChIKeyMZNIODFXJNPKGM-UHFFFAOYSA-N
MW447.59 g/mol
LogP6.24
Rot. Bonds6

About 4-(2,5-dimethoxyphenyl)-2-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole

4-(2,5-dimethoxyphenyl)-2-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole (PubChem CID 45151510) has the molecular formula C24H21N3O2S2 and a molecular weight of 447.59 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-2-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-2-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole
PubChem CID45151510
Molecular FormulaC24H21N3O2S2
Molecular Weight447.59 g/mol
Exact Mass447.11
IUPAC Name4-(2,5-dimethoxyphenyl)-2-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole
SMILESCOc1ccc(OC)c(-c2csc(N3N=C(c4cccs4)CC3c3ccccc3)n2)c1
InChIInChI=1S/C24H21N3O2S2/c1-28-17-10-11-22(29-2)18(13-17)20-15-31-24(25-20)27-21(16-7-4-3-5-8-16)14-19(26-27)23-9-6-12-30-23/h3-13,15,21H,14H2,1-2H3
InChIKeyMZNIODFXJNPKGM-UHFFFAOYSA-N
XLogP6.24
TPSA46.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.59
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-methoxyphenyl)-2-[(3S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 35413044
2-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 7124956
2-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-[4-(2-methylpropyl)phenyl]-1,3-thiazole
CID 40592916
4-(2,5-dimethylphenyl)-2-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 25287487
2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole
CID 2858379
4-(4-chlorophenyl)-2-[(3S)-3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 35412863
4-(4-fluorophenyl)-2-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 40786752
2-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
CID 41009659
2-[2-[5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenol
CID 10764872
4-(4-nitrophenyl)-2-[(3R)-3-(4-nitrophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 94036572
4-(2,5-dimethoxyphenyl)-6-thiophen-2-ylpyrimidin-2-amine
CID 75359777
(5R,10bS)-5-(2,5-dimethoxyphenyl)-7-methoxy-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 42456761

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-2-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-2-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole (CID 45151510) is 4-(2,5-dimethoxyphenyl)-2-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-2-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-2-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole is COc1ccc(OC)c(-c2csc(N3N=C(c4cccs4)CC3c3ccccc3)n2)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-2-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole?
The InChIKey is MZNIODFXJNPKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S2/c1-28-17-10-11-22(29-2)18(13-17)20-15-31-24(25-20)27-21(16-7-4-3-5-8-16)14-19(26-27)23-9-6-12-30-23/h3-13,15,21H,14H2,1-2H3.
What are the key properties of 4-(2,5-dimethoxyphenyl)-2-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole?
4-(2,5-dimethoxyphenyl)-2-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole has a molecular weight of 447.59 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)-2-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole is sourced from PubChem (CID 45151510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).