5-ethyl-2-methyl-1-prop-2-enyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide

C14H17N3OS — CID 3793551

IUPAC5-ethyl-2-methyl-1-prop-2-enyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
SMILESC=CCn1c(C)c(C(N)=O)c(-c2nccs2)c1CC
InChIInChI=1S/C14H17N3OS/c1-4-7-17-9(3)11(13(15)18)12(10(17)5-2)14-16-6-8-19-14/h4,6,8H,1,5,7H2,2-3H3,(H2,15,18)
InChIKeyIQQHYORLSSDHTJ-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.77
Rot. Bonds5

About 5-ethyl-2-methyl-1-prop-2-enyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide

5-ethyl-2-methyl-1-prop-2-enyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide (PubChem CID 3793551) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 5-ethyl-2-methyl-1-prop-2-enyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-2-methyl-1-prop-2-enyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
PubChem CID3793551
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name5-ethyl-2-methyl-1-prop-2-enyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
SMILESC=CCn1c(C)c(C(N)=O)c(-c2nccs2)c1CC
InChIInChI=1S/C14H17N3OS/c1-4-7-17-9(3)11(13(15)18)12(10(17)5-2)14-16-6-8-19-14/h4,6,8H,1,5,7H2,2-3H3,(H2,15,18)
InChIKeyIQQHYORLSSDHTJ-UHFFFAOYSA-N
XLogP2.77
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-1-prop-2-enyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The IUPAC name of 5-ethyl-2-methyl-1-prop-2-enyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide (CID 3793551) is 5-ethyl-2-methyl-1-prop-2-enyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-ethyl-2-methyl-1-prop-2-enyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The canonical SMILES for 5-ethyl-2-methyl-1-prop-2-enyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide is C=CCn1c(C)c(C(N)=O)c(-c2nccs2)c1CC.
What is the InChIKey of 5-ethyl-2-methyl-1-prop-2-enyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The InChIKey is IQQHYORLSSDHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-4-7-17-9(3)11(13(15)18)12(10(17)5-2)14-16-6-8-19-14/h4,6,8H,1,5,7H2,2-3H3,(H2,15,18).
What are the key properties of 5-ethyl-2-methyl-1-prop-2-enyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
5-ethyl-2-methyl-1-prop-2-enyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-1-prop-2-enyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 3793551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).