2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-5-methyl-4-phenyl-1,3-thiazole

C29H27N3O2S — CID 19586800

IUPAC2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-5-methyl-4-phenyl-1,3-thiazole
SMILESCCc1c(-c2ccc(OC)cc2)nn(-c2nc(-c3ccccc3)c(C)s2)c1-c1ccc(OC)cc1
InChIInChI=1S/C29H27N3O2S/c1-5-25-27(21-11-15-23(33-3)16-12-21)31-32(28(25)22-13-17-24(34-4)18-14-22)29-30-26(19(2)35-29)20-9-7-6-8-10-20/h6-18H,5H2,1-4H3
InChIKeyRBFXCIFDCOJKCF-UHFFFAOYSA-N
MW481.62 g/mol
LogP7.22
Rot. Bonds7

About 2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-5-methyl-4-phenyl-1,3-thiazole

2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-5-methyl-4-phenyl-1,3-thiazole (PubChem CID 19586800) has the molecular formula C29H27N3O2S and a molecular weight of 481.62 g/mol. Its IUPAC name is 2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-5-methyl-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-5-methyl-4-phenyl-1,3-thiazole
PubChem CID19586800
Molecular FormulaC29H27N3O2S
Molecular Weight481.62 g/mol
Exact Mass481.18
IUPAC Name2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-5-methyl-4-phenyl-1,3-thiazole
SMILESCCc1c(-c2ccc(OC)cc2)nn(-c2nc(-c3ccccc3)c(C)s2)c1-c1ccc(OC)cc1
InChIInChI=1S/C29H27N3O2S/c1-5-25-27(21-11-15-23(33-3)16-12-21)31-32(28(25)22-13-17-24(34-4)18-14-22)29-30-26(19(2)35-29)20-9-7-6-8-10-20/h6-18H,5H2,1-4H3
InChIKeyRBFXCIFDCOJKCF-UHFFFAOYSA-N
XLogP7.22
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.62
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[2-(1H-pyrazol-1-yl)-1,3-thiazol-4-yl]phenyl ether
CID 1481752
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylpiperazine
CID 4788158
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylguanidine
CID 9999107
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-propan-2-ylguanidine
CID 10318585
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylguanidine
CID 10429998
5-benzyl-N-[(4-methoxyphenyl)methyl]-4-phenyl-thiazol-2-amine
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5-[(2-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-phenyl-thiazol-2-amine
CID 72706187
5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-thiazol-2-amine
CID 72706311
N,5-dibenzyl-4-(4-methoxyphenyl)thiazol-2-amine
CID 72706819
5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]thiazol-2-amine
CID 72706878
5-benzyl-N-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)thiazol-2-amine
CID 72706881
4-[[[5-Benzyl-4-(4-methoxyphenyl)thiazol-2-yl]amino]methyl]phenol
CID 72706995

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-5-methyl-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-5-methyl-4-phenyl-1,3-thiazole (CID 19586800) is 2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-5-methyl-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-5-methyl-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-5-methyl-4-phenyl-1,3-thiazole is CCc1c(-c2ccc(OC)cc2)nn(-c2nc(-c3ccccc3)c(C)s2)c1-c1ccc(OC)cc1.
What is the InChIKey of 2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-5-methyl-4-phenyl-1,3-thiazole?
The InChIKey is RBFXCIFDCOJKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O2S/c1-5-25-27(21-11-15-23(33-3)16-12-21)31-32(28(25)22-13-17-24(34-4)18-14-22)29-30-26(19(2)35-29)20-9-7-6-8-10-20/h6-18H,5H2,1-4H3.
What are the key properties of 2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-5-methyl-4-phenyl-1,3-thiazole?
2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-5-methyl-4-phenyl-1,3-thiazole has a molecular weight of 481.62 g/mol, XLogP of 7.22, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-5-methyl-4-phenyl-1,3-thiazole is sourced from PubChem (CID 19586800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).