2-[(3R)-5-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole

C20H19N3S2 — CID 40900302

IUPAC2-[(3R)-5-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESCSc1ccc([C@H]2CC(C)=NN2c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C20H19N3S2/c1-14-12-19(16-8-10-17(24-2)11-9-16)23(22-14)20-21-18(13-25-20)15-6-4-3-5-7-15/h3-11,13,19H,12H2,1-2H3/t19-/m1/s1
InChIKeyRASPWNXFOXAGAV-LJQANCHMSA-N
MW365.53 g/mol
LogP5.86
Rot. Bonds4

About 2-[(3R)-5-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole

2-[(3R)-5-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (PubChem CID 40900302) has the molecular formula C20H19N3S2 and a molecular weight of 365.53 g/mol. Its IUPAC name is 2-[(3R)-5-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(3R)-5-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
PubChem CID40900302
Molecular FormulaC20H19N3S2
Molecular Weight365.53 g/mol
Exact Mass365.10
IUPAC Name2-[(3R)-5-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESCSc1ccc([C@H]2CC(C)=NN2c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C20H19N3S2/c1-14-12-19(16-8-10-17(24-2)11-9-16)23(22-14)20-21-18(13-25-20)15-6-4-3-5-7-15/h3-11,13,19H,12H2,1-2H3/t19-/m1/s1
InChIKeyRASPWNXFOXAGAV-LJQANCHMSA-N
XLogP5.86
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.53
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-3-(3,4-dimethoxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 41089511
4-[3-phenyl-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-3,4-dihydropyrazol-5-yl]phenol
CID 136961371
2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-(4-iodophenyl)-1,3-thiazole
CID 2840664
2-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 7124956
2-[(3S)-3-(3,4-dimethoxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 41062889
4-(3,4-dimethylphenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazole;hydrobromide
CID 126478151
4-(4-chlorophenyl)-2-[(3R)-5-methyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 41087916
4-(4-fluorophenyl)-2-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 40786752
2-[2-[5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenol
CID 10764872
4-[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide
CID 2840081
4-(4-methoxyphenyl)-2-[(3S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 35413044
(3R)-5-methyl-2,3-diphenyl-3,4-dihydropyrazole
CID 684236

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-5-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[(3R)-5-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (CID 40900302) is 2-[(3R)-5-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[(3R)-5-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[(3R)-5-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole is CSc1ccc([C@H]2CC(C)=NN2c2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 2-[(3R)-5-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The InChIKey is RASPWNXFOXAGAV-LJQANCHMSA-N. The full InChI is InChI=1S/C20H19N3S2/c1-14-12-19(16-8-10-17(24-2)11-9-16)23(22-14)20-21-18(13-25-20)15-6-4-3-5-7-15/h3-11,13,19H,12H2,1-2H3/t19-/m1/s1.
What are the key properties of 2-[(3R)-5-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
2-[(3R)-5-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole has a molecular weight of 365.53 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-5-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 40900302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).