N-[4-(furan-2-yl)-5-(4-propoxybutanoyl)-1,3-thiazol-2-yl]-1H-indole-4-carboxamide

C23H23N3O4S — CID 87171086

IUPACN-[4-(furan-2-yl)-5-(4-propoxybutanoyl)-1,3-thiazol-2-yl]-1H-indole-4-carboxamide
SMILESCCCOCCCC(=O)c1sc(NC(=O)c2cccc3[nH]ccc23)nc1-c1ccco1
InChIInChI=1S/C23H23N3O4S/c1-2-12-29-13-4-8-18(27)21-20(19-9-5-14-30-19)25-23(31-21)26-22(28)16-6-3-7-17-15(16)10-11-24-17/h3,5-7,9-11,14,24H,2,4,8,12-13H2,1H3,(H,25,26,28)
InChIKeySOTVFSQWYANYGO-UHFFFAOYSA-N
MW437.52 g/mol
LogP5.53
Rot. Bonds10

About N-[4-(furan-2-yl)-5-(4-propoxybutanoyl)-1,3-thiazol-2-yl]-1H-indole-4-carboxamide

N-[4-(furan-2-yl)-5-(4-propoxybutanoyl)-1,3-thiazol-2-yl]-1H-indole-4-carboxamide (PubChem CID 87171086) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-(4-propoxybutanoyl)-1,3-thiazol-2-yl]-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-(4-propoxybutanoyl)-1,3-thiazol-2-yl]-1H-indole-4-carboxamide
PubChem CID87171086
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC NameN-[4-(furan-2-yl)-5-(4-propoxybutanoyl)-1,3-thiazol-2-yl]-1H-indole-4-carboxamide
SMILESCCCOCCCC(=O)c1sc(NC(=O)c2cccc3[nH]ccc23)nc1-c1ccco1
InChIInChI=1S/C23H23N3O4S/c1-2-12-29-13-4-8-18(27)21-20(19-9-5-14-30-19)25-23(31-21)26-22(28)16-6-3-7-17-15(16)10-11-24-17/h3,5-7,9-11,14,24H,2,4,8,12-13H2,1H3,(H,25,26,28)
InChIKeySOTVFSQWYANYGO-UHFFFAOYSA-N
XLogP5.53
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.52
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-(furan-2-yl)-5-(4-propoxybutanoyl)-1,3-thiazol-2-yl]-1H-indole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-5-(4-propoxybutanoyl)-1,3-thiazol-2-yl]-1H-indole-4-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)-5-(4-propoxybutanoyl)-1,3-thiazol-2-yl]-1H-indole-4-carboxamide (CID 87171086) is N-[4-(furan-2-yl)-5-(4-propoxybutanoyl)-1,3-thiazol-2-yl]-1H-indole-4-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-(4-propoxybutanoyl)-1,3-thiazol-2-yl]-1H-indole-4-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-(4-propoxybutanoyl)-1,3-thiazol-2-yl]-1H-indole-4-carboxamide is CCCOCCCC(=O)c1sc(NC(=O)c2cccc3[nH]ccc23)nc1-c1ccco1.
What is the InChIKey of N-[4-(furan-2-yl)-5-(4-propoxybutanoyl)-1,3-thiazol-2-yl]-1H-indole-4-carboxamide?
The InChIKey is SOTVFSQWYANYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-2-12-29-13-4-8-18(27)21-20(19-9-5-14-30-19)25-23(31-21)26-22(28)16-6-3-7-17-15(16)10-11-24-17/h3,5-7,9-11,14,24H,2,4,8,12-13H2,1H3,(H,25,26,28).
What are the key properties of N-[4-(furan-2-yl)-5-(4-propoxybutanoyl)-1,3-thiazol-2-yl]-1H-indole-4-carboxamide?
N-[4-(furan-2-yl)-5-(4-propoxybutanoyl)-1,3-thiazol-2-yl]-1H-indole-4-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 5.53, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-5-(4-propoxybutanoyl)-1,3-thiazol-2-yl]-1H-indole-4-carboxamide is sourced from PubChem (CID 87171086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).