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

C18H17N3O2S — CID 135623529

IUPAC[4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(-c2csc(-c3ccc(O)cc3)n2)c[nH]1)N1CCCC1
InChIInChI=1S/C18H17N3O2S/c22-14-5-3-12(4-6-14)17-20-16(11-24-17)13-9-15(19-10-13)18(23)21-7-1-2-8-21/h3-6,9-11,19,22H,1-2,7-8H2
InChIKeyIRTUKVDABJKTBU-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.75
Rot. Bonds3

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

[4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 135623529) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is [4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID135623529
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name[4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(-c2csc(-c3ccc(O)cc3)n2)c[nH]1)N1CCCC1
InChIInChI=1S/C18H17N3O2S/c22-14-5-3-12(4-6-14)17-20-16(11-24-17)13-9-15(19-10-13)18(23)21-7-1-2-8-21/h3-6,9-11,19,22H,1-2,7-8H2
InChIKeyIRTUKVDABJKTBU-UHFFFAOYSA-N
XLogP3.75
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone (CID 135623529) is [4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1cc(-c2csc(-c3ccc(O)cc3)n2)c[nH]1)N1CCCC1.
What is the InChIKey of [4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is IRTUKVDABJKTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-14-5-3-12(4-6-14)17-20-16(11-24-17)13-9-15(19-10-13)18(23)21-7-1-2-8-21/h3-6,9-11,19,22H,1-2,7-8H2.
What are the key properties of [4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
[4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 339.42 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 135623529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).