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

C23H19N3S2 — CID 45150864

IUPAC2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESCc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3cccs3)C2)cc1
InChIInChI=1S/C23H19N3S2/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
InChIKeyNGHWEHQGOVYTRH-UHFFFAOYSA-N
MW401.56 g/mol
LogP6.54
Rot. Bonds4

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

2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (PubChem CID 45150864) has the molecular formula C23H19N3S2 and a molecular weight of 401.56 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
PubChem CID45150864
Molecular FormulaC23H19N3S2
Molecular Weight401.56 g/mol
Exact Mass401.10
IUPAC Name2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESCc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3cccs3)C2)cc1
InChIInChI=1S/C23H19N3S2/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
InChIKeyNGHWEHQGOVYTRH-UHFFFAOYSA-N
XLogP6.54
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.56
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 9556718
CID 9556718
CID 6882053
CID 6882053
CID 9800468
CID 9800468
CID 18537305
CID 18537305
CID 5704076
CID 5704076
CID 6284665
CID 6284665
CID 45150867
CID 45150867
CID 45150987
CID 45150987
CID 45150990
CID 45150990
CID 45151110
CID 45151110
CID 101886904
CID 101886904
CID 9803095
CID 9803095

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (CID 45150864) is 2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole is Cc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3cccs3)C2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The InChIKey is NGHWEHQGOVYTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3S2/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-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole has a molecular weight of 401.56 g/mol, XLogP of 6.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 45150864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).