1-butyl-3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]indole-2-carboxamide

C20H26N4OS — CID 110503514

IUPAC1-butyl-3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]indole-2-carboxamide
SMILESCCCCn1c(C(=O)Nc2nnc(CC(C)C)s2)c(C)c2ccccc21
InChIInChI=1S/C20H26N4OS/c1-5-6-11-24-16-10-8-7-9-15(16)14(4)18(24)19(25)21-20-23-22-17(26-20)12-13(2)3/h7-10,13H,5-6,11-12H2,1-4H3,(H,21,23,25)
InChIKeyHWBYCDPOYGOODQ-UHFFFAOYSA-N
MW370.52 g/mol
LogP5.05
Rot. Bonds7

About 1-butyl-3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]indole-2-carboxamide

1-butyl-3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]indole-2-carboxamide (PubChem CID 110503514) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 1-butyl-3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]indole-2-carboxamide.

Molecular Properties

Compound Name1-butyl-3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]indole-2-carboxamide
PubChem CID110503514
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name1-butyl-3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]indole-2-carboxamide
SMILESCCCCn1c(C(=O)Nc2nnc(CC(C)C)s2)c(C)c2ccccc21
InChIInChI=1S/C20H26N4OS/c1-5-6-11-24-16-10-8-7-9-15(16)14(4)18(24)19(25)21-20-23-22-17(26-20)12-13(2)3/h7-10,13H,5-6,11-12H2,1-4H3,(H,21,23,25)
InChIKeyHWBYCDPOYGOODQ-UHFFFAOYSA-N
XLogP5.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.52
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)indole-2-carboxamide
CID 110503516
1-butyl-3-methyl-N-pyridin-4-ylindole-2-carboxamide
CID 110501411
1-ethyl-4-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxoquinoline-3-carboxamide
CID 54690333
methyl 2-[(1-butyl-3-methylindole-2-carbonyl)amino]-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate
CID 110503561
1-butyl-N-(2,6-dichlorophenyl)-3-methylindole-2-carboxamide
CID 110501258
1-butyl-N-(4-tert-butylphenyl)-3-methylindole-2-carboxamide
CID 110501283
1-butyl-N-(6-chloro-2-pyridinyl)-3-methylindole-2-carboxamide
CID 110501404
1-butyl-3-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide
CID 110501362
1-butyl-3-methyl-N-(1H-1,2,4-triazol-5-yl)indole-2-carboxamide
CID 110501382
ethyl 4-[(1-butyl-3-methylindole-2-carbonyl)amino]benzoate
CID 110501209
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-methylsulfonylbenzamide
CID 30732694
1-butyl-3-methyl-N-(4-pyrrolidin-1-ylphenyl)indole-2-carboxamide
CID 110501327

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]indole-2-carboxamide?
The IUPAC name of 1-butyl-3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]indole-2-carboxamide (CID 110503514) is 1-butyl-3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]indole-2-carboxamide.
What is the SMILES notation for 1-butyl-3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]indole-2-carboxamide?
The canonical SMILES for 1-butyl-3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]indole-2-carboxamide is CCCCn1c(C(=O)Nc2nnc(CC(C)C)s2)c(C)c2ccccc21.
What is the InChIKey of 1-butyl-3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]indole-2-carboxamide?
The InChIKey is HWBYCDPOYGOODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-5-6-11-24-16-10-8-7-9-15(16)14(4)18(24)19(25)21-20-23-22-17(26-20)12-13(2)3/h7-10,13H,5-6,11-12H2,1-4H3,(H,21,23,25).
What are the key properties of 1-butyl-3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]indole-2-carboxamide?
1-butyl-3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]indole-2-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]indole-2-carboxamide is sourced from PubChem (CID 110503514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).