5-(1-methylindol-3-yl)-N-(1,3-thiazol-2-yl)pentanamide

C17H19N3OS — CID 140983112

IUPAC5-(1-methylindol-3-yl)-N-(1,3-thiazol-2-yl)pentanamide
SMILESCn1cc(CCCCC(=O)Nc2nccs2)c2ccccc21
InChIInChI=1S/C17H19N3OS/c1-20-12-13(14-7-3-4-8-15(14)20)6-2-5-9-16(21)19-17-18-10-11-22-17/h3-4,7-8,10-12H,2,5-6,9H2,1H3,(H,18,19,21)
InChIKeyJWQVQMNOJLOVAJ-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.99
Rot. Bonds6

About 5-(1-methylindol-3-yl)-N-(1,3-thiazol-2-yl)pentanamide

5-(1-methylindol-3-yl)-N-(1,3-thiazol-2-yl)pentanamide (PubChem CID 140983112) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 5-(1-methylindol-3-yl)-N-(1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name5-(1-methylindol-3-yl)-N-(1,3-thiazol-2-yl)pentanamide
PubChem CID140983112
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name5-(1-methylindol-3-yl)-N-(1,3-thiazol-2-yl)pentanamide
SMILESCn1cc(CCCCC(=O)Nc2nccs2)c2ccccc21
InChIInChI=1S/C17H19N3OS/c1-20-12-13(14-7-3-4-8-15(14)20)6-2-5-9-16(21)19-17-18-10-11-22-17/h3-4,7-8,10-12H,2,5-6,9H2,1H3,(H,18,19,21)
InChIKeyJWQVQMNOJLOVAJ-UHFFFAOYSA-N
XLogP3.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(1-methylindol-3-yl)-N-(1,3-thiazol-2-yl)pentanamide with MolForge

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

Launch Full Analysis

Related Compounds

N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
N-(2-bromophenyl)-4-(1-methylindol-3-yl)butanamide
CID 22522913
4-(1-methylindol-3-yl)butanamide
CID 175206986
4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 719768
5-(1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-yl)pentanamide
CID 18192870
3-(1-methylindol-3-yl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide
CID 71917336
N-[3-(1-methylimidazole-2-carbonyl)phenyl]-4-(1-methylindol-3-yl)butanamide
CID 91639034
methanamine;N-(1,3-thiazol-2-yl)hexanamide
CID 143608752
N-(5-methyl-1H-imidazol-2-yl)-3-(1-methylindol-3-yl)propanamide
CID 71913209
2-(1-cyclopentylindol-3-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 11186412
3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 47298454
N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-5-(1-methylindol-3-yl)pentanamide
CID 140983111

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylindol-3-yl)-N-(1,3-thiazol-2-yl)pentanamide?
The IUPAC name of 5-(1-methylindol-3-yl)-N-(1,3-thiazol-2-yl)pentanamide (CID 140983112) is 5-(1-methylindol-3-yl)-N-(1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for 5-(1-methylindol-3-yl)-N-(1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for 5-(1-methylindol-3-yl)-N-(1,3-thiazol-2-yl)pentanamide is Cn1cc(CCCCC(=O)Nc2nccs2)c2ccccc21.
What is the InChIKey of 5-(1-methylindol-3-yl)-N-(1,3-thiazol-2-yl)pentanamide?
The InChIKey is JWQVQMNOJLOVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-20-12-13(14-7-3-4-8-15(14)20)6-2-5-9-16(21)19-17-18-10-11-22-17/h3-4,7-8,10-12H,2,5-6,9H2,1H3,(H,18,19,21).
What are the key properties of 5-(1-methylindol-3-yl)-N-(1,3-thiazol-2-yl)pentanamide?
5-(1-methylindol-3-yl)-N-(1,3-thiazol-2-yl)pentanamide has a molecular weight of 313.43 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylindol-3-yl)-N-(1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 140983112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).