2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one

C20H19N3O3S — CID 57400955

IUPAC2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
SMILESCOc1ccc(C2=NN(C3=NC(=O)CS3)C(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C20H19N3O3S/c1-25-15-7-3-13(4-8-15)17-11-18(14-5-9-16(26-2)10-6-14)23(22-17)20-21-19(24)12-27-20/h3-10,18H,11-12H2,1-2H3
InChIKeyQATSQOZRVCGSQI-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.48
Rot. Bonds4

About 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one

2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one (PubChem CID 57400955) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
PubChem CID57400955
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
SMILESCOc1ccc(C2=NN(C3=NC(=O)CS3)C(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C20H19N3O3S/c1-25-15-7-3-13(4-8-15)17-11-18(14-5-9-16(26-2)10-6-14)23(22-17)20-21-19(24)12-27-20/h3-10,18H,11-12H2,1-2H3
InChIKeyQATSQOZRVCGSQI-UHFFFAOYSA-N
XLogP3.48
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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CID 5954350
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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?
The IUPAC name of 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one (CID 57400955) is 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one.
What is the SMILES notation for 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?
The canonical SMILES for 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one is COc1ccc(C2=NN(C3=NC(=O)CS3)C(c3ccc(OC)cc3)C2)cc1.
What is the InChIKey of 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?
The InChIKey is QATSQOZRVCGSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-25-15-7-3-13(4-8-15)17-11-18(14-5-9-16(26-2)10-6-14)23(22-17)20-21-19(24)12-27-20/h3-10,18H,11-12H2,1-2H3.
What are the key properties of 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?
2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one has a molecular weight of 381.46 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one is sourced from PubChem (CID 57400955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).