6-chloro-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-1H-indole-2-carboxamide

C19H24ClN5OS — CID 60513219

IUPAC6-chloro-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-1H-indole-2-carboxamide
SMILESCSc1nnc(CCCNC(=O)c2cc3ccc(Cl)cc3[nH]2)n1CC(C)C
InChIInChI=1S/C19H24ClN5OS/c1-12(2)11-25-17(23-24-19(25)27-3)5-4-8-21-18(26)16-9-13-6-7-14(20)10-15(13)22-16/h6-7,9-10,12,22H,4-5,8,11H2,1-3H3,(H,21,26)
InChIKeyUYFCJUWHTQKFAH-UHFFFAOYSA-N
MW405.96 g/mol
LogP4.15
Rot. Bonds8

About 6-chloro-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-1H-indole-2-carboxamide

6-chloro-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-1H-indole-2-carboxamide (PubChem CID 60513219) has the molecular formula C19H24ClN5OS and a molecular weight of 405.96 g/mol. Its IUPAC name is 6-chloro-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-1H-indole-2-carboxamide
PubChem CID60513219
Molecular FormulaC19H24ClN5OS
Molecular Weight405.96 g/mol
Exact Mass405.14
IUPAC Name6-chloro-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-1H-indole-2-carboxamide
SMILESCSc1nnc(CCCNC(=O)c2cc3ccc(Cl)cc3[nH]2)n1CC(C)C
InChIInChI=1S/C19H24ClN5OS/c1-12(2)11-25-17(23-24-19(25)27-3)5-4-8-21-18(26)16-9-13-6-7-14(20)10-15(13)22-16/h6-7,9-10,12,22H,4-5,8,11H2,1-3H3,(H,21,26)
InChIKeyUYFCJUWHTQKFAH-UHFFFAOYSA-N
XLogP4.15
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.96
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-chloro-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

2-fluoro-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]benzamide
CID 55391316
N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-4-propan-2-ylbenzamide
CID 60600999
2-(2,4-dichlorophenoxy)-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]acetamide
CID 55391087
2-(3-chlorophenyl)-5-methyl-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]triazole-4-carboxamide
CID 78810177
2,5-dimethyl-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]thiophene-3-carboxamide
CID 134013630
2,3,5-trichloro-6-hydroxy-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]benzamide
CID 112841656
3-methyl-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]benzamide
CID 78810172
6-chloro-N-(3-phenylpropyl)-1H-indole-2-carboxamide
CID 113207554
N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-1-benzothiophene-2-carboxamide
CID 78810279
5-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685121
2,2-dimethyl-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]propanamide
CID 60600843
3-(dimethylamino)-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]benzamide
CID 78810167

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-1H-indole-2-carboxamide (CID 60513219) is 6-chloro-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-1H-indole-2-carboxamide is CSc1nnc(CCCNC(=O)c2cc3ccc(Cl)cc3[nH]2)n1CC(C)C.
What is the InChIKey of 6-chloro-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-1H-indole-2-carboxamide?
The InChIKey is UYFCJUWHTQKFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5OS/c1-12(2)11-25-17(23-24-19(25)27-3)5-4-8-21-18(26)16-9-13-6-7-14(20)10-15(13)22-16/h6-7,9-10,12,22H,4-5,8,11H2,1-3H3,(H,21,26).
What are the key properties of 6-chloro-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-1H-indole-2-carboxamide?
6-chloro-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-1H-indole-2-carboxamide has a molecular weight of 405.96 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 60513219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).