[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone

C19H19N3O2S — CID 9362917

IUPAC[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(-c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)cc1
InChIInChI=1S/C19H19N3O2S/c1-24-15-6-4-13(5-7-15)18-21-17(12-25-18)14-10-16(20-11-14)19(23)22-8-2-3-9-22/h4-7,10-12,20H,2-3,8-9H2,1H3
InChIKeyCGWCLDPYFYMUMO-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.05
Rot. Bonds4

About [4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone

[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 9362917) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is [4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID9362917
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(-c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)cc1
InChIInChI=1S/C19H19N3O2S/c1-24-15-6-4-13(5-7-15)18-21-17(12-25-18)14-10-16(20-11-14)19(23)22-8-2-3-9-22/h4-7,10-12,20H,2-3,8-9H2,1H3
InChIKeyCGWCLDPYFYMUMO-UHFFFAOYSA-N
XLogP4.05
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone (CID 9362917) is [4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone is COc1ccc(-c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)cc1.
What is the InChIKey of [4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is CGWCLDPYFYMUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-24-15-6-4-13(5-7-15)18-21-17(12-25-18)14-10-16(20-11-14)19(23)22-8-2-3-9-22/h4-7,10-12,20H,2-3,8-9H2,1H3.
What are the key properties of [4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 353.45 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 9362917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).