2-[1-(ethoxymethyl)pyrrol-2-yl]-4,5-bis(4-methoxyphenyl)-1,3-thiazole

C24H24N2O3S — CID 3063491

IUPAC2-[1-(ethoxymethyl)pyrrol-2-yl]-4,5-bis(4-methoxyphenyl)-1,3-thiazole
SMILESCCOCn1cccc1-c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1
InChIInChI=1S/C24H24N2O3S/c1-4-29-16-26-15-5-6-21(26)24-25-22(17-7-11-19(27-2)12-8-17)23(30-24)18-9-13-20(28-3)14-10-18/h5-15H,4,16H2,1-3H3
InChIKeyBLRRNJPSDAJCBJ-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.96
Rot. Bonds8

About 2-[1-(ethoxymethyl)pyrrol-2-yl]-4,5-bis(4-methoxyphenyl)-1,3-thiazole

2-[1-(ethoxymethyl)pyrrol-2-yl]-4,5-bis(4-methoxyphenyl)-1,3-thiazole (PubChem CID 3063491) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is 2-[1-(ethoxymethyl)pyrrol-2-yl]-4,5-bis(4-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(ethoxymethyl)pyrrol-2-yl]-4,5-bis(4-methoxyphenyl)-1,3-thiazole
PubChem CID3063491
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name2-[1-(ethoxymethyl)pyrrol-2-yl]-4,5-bis(4-methoxyphenyl)-1,3-thiazole
SMILESCCOCn1cccc1-c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1
InChIInChI=1S/C24H24N2O3S/c1-4-29-16-26-15-5-6-21(26)24-25-22(17-7-11-19(27-2)12-8-17)23(30-24)18-9-13-20(28-3)14-10-18/h5-15H,4,16H2,1-3H3
InChIKeyBLRRNJPSDAJCBJ-UHFFFAOYSA-N
XLogP5.96
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethoxymethyl)pyrrol-2-yl]-4,5-bis(4-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-[1-(ethoxymethyl)pyrrol-2-yl]-4,5-bis(4-methoxyphenyl)-1,3-thiazole (CID 3063491) is 2-[1-(ethoxymethyl)pyrrol-2-yl]-4,5-bis(4-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[1-(ethoxymethyl)pyrrol-2-yl]-4,5-bis(4-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-[1-(ethoxymethyl)pyrrol-2-yl]-4,5-bis(4-methoxyphenyl)-1,3-thiazole is CCOCn1cccc1-c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1.
What is the InChIKey of 2-[1-(ethoxymethyl)pyrrol-2-yl]-4,5-bis(4-methoxyphenyl)-1,3-thiazole?
The InChIKey is BLRRNJPSDAJCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-4-29-16-26-15-5-6-21(26)24-25-22(17-7-11-19(27-2)12-8-17)23(30-24)18-9-13-20(28-3)14-10-18/h5-15H,4,16H2,1-3H3.
What are the key properties of 2-[1-(ethoxymethyl)pyrrol-2-yl]-4,5-bis(4-methoxyphenyl)-1,3-thiazole?
2-[1-(ethoxymethyl)pyrrol-2-yl]-4,5-bis(4-methoxyphenyl)-1,3-thiazole has a molecular weight of 420.53 g/mol, XLogP of 5.96, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethoxymethyl)pyrrol-2-yl]-4,5-bis(4-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 3063491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).