4-(4-methoxyphenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole

C20H20N2OS — CID 3889772

IUPAC4-(4-methoxyphenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(N3CCC(c4ccccc4)C3)n2)cc1
InChIInChI=1S/C20H20N2OS/c1-23-18-9-7-16(8-10-18)19-14-24-20(21-19)22-12-11-17(13-22)15-5-3-2-4-6-15/h2-10,14,17H,11-13H2,1H3
InChIKeyATYWJSBJXOJMAI-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.81
Rot. Bonds4

About 4-(4-methoxyphenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole

4-(4-methoxyphenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole (PubChem CID 3889772) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole
PubChem CID3889772
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name4-(4-methoxyphenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(N3CCC(c4ccccc4)C3)n2)cc1
InChIInChI=1S/C20H20N2OS/c1-23-18-9-7-16(8-10-18)19-14-24-20(21-19)22-12-11-17(13-22)15-5-3-2-4-6-15/h2-10,14,17H,11-13H2,1H3
InChIKeyATYWJSBJXOJMAI-UHFFFAOYSA-N
XLogP4.81
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole?
The IUPAC name of 4-(4-methoxyphenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole (CID 3889772) is 4-(4-methoxyphenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-(4-methoxyphenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole is COc1ccc(-c2csc(N3CCC(c4ccccc4)C3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole?
The InChIKey is ATYWJSBJXOJMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-23-18-9-7-16(8-10-18)19-14-24-20(21-19)22-12-11-17(13-22)15-5-3-2-4-6-15/h2-10,14,17H,11-13H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole?
4-(4-methoxyphenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole has a molecular weight of 336.46 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 3889772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).