1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide

C18H19N3O2S — CID 3847888

IUPAC1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
SMILESCc1nc(-c2cc(C(N)=O)c(C)n2CCc2ccc(O)cc2)cs1
InChIInChI=1S/C18H19N3O2S/c1-11-15(18(19)23)9-17(16-10-24-12(2)20-16)21(11)8-7-13-3-5-14(22)6-4-13/h3-6,9-10,22H,7-8H2,1-2H3,(H2,19,23)
InChIKeyMWRCJMOJTGTPOC-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.28
Rot. Bonds5

About 1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide

1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide (PubChem CID 3847888) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
PubChem CID3847888
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
SMILESCc1nc(-c2cc(C(N)=O)c(C)n2CCc2ccc(O)cc2)cs1
InChIInChI=1S/C18H19N3O2S/c1-11-15(18(19)23)9-17(16-10-24-12(2)20-16)21(11)8-7-13-3-5-14(22)6-4-13/h3-6,9-10,22H,7-8H2,1-2H3,(H2,19,23)
InChIKeyMWRCJMOJTGTPOC-UHFFFAOYSA-N
XLogP3.28
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide?
The IUPAC name of 1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide (CID 3847888) is 1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide?
The canonical SMILES for 1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide is Cc1nc(-c2cc(C(N)=O)c(C)n2CCc2ccc(O)cc2)cs1.
What is the InChIKey of 1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide?
The InChIKey is MWRCJMOJTGTPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-11-15(18(19)23)9-17(16-10-24-12(2)20-16)21(11)8-7-13-3-5-14(22)6-4-13/h3-6,9-10,22H,7-8H2,1-2H3,(H2,19,23).
What are the key properties of 1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide?
1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 3847888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).