2-(5-carbamothioylindol-1-yl)-N-methyl-N-propan-2-ylacetamide

C15H19N3OS — CID 107920508

IUPAC2-(5-carbamothioylindol-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1ccc2cc(C(N)=S)ccc21
InChIInChI=1S/C15H19N3OS/c1-10(2)17(3)14(19)9-18-7-6-11-8-12(15(16)20)4-5-13(11)18/h4-8,10H,9H2,1-3H3,(H2,16,20)
InChIKeyXXWAUXBULMOVCF-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.14
Rot. Bonds4

About 2-(5-carbamothioylindol-1-yl)-N-methyl-N-propan-2-ylacetamide

2-(5-carbamothioylindol-1-yl)-N-methyl-N-propan-2-ylacetamide (PubChem CID 107920508) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(5-carbamothioylindol-1-yl)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-carbamothioylindol-1-yl)-N-methyl-N-propan-2-ylacetamide
PubChem CID107920508
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-(5-carbamothioylindol-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1ccc2cc(C(N)=S)ccc21
InChIInChI=1S/C15H19N3OS/c1-10(2)17(3)14(19)9-18-7-6-11-8-12(15(16)20)4-5-13(11)18/h4-8,10H,9H2,1-3H3,(H2,16,20)
InChIKeyXXWAUXBULMOVCF-UHFFFAOYSA-N
XLogP2.14
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-carbamothioylindol-1-yl)-N-cyclopropyl-N-methylacetamide
CID 107920598
2-(5-aminoindol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 43165357
2-(5-fluoroindol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 63850467
N-methyl-N-propan-2-yl-2-(5-propoxyindol-1-yl)acetamide
CID 116625664
1-(2-methylsulfonylethyl)indole-5-carbothioamide
CID 114016002
2-(5-carbamothioylindol-1-yl)-N-cyclopropylacetamide
CID 107920614
1-(2-morpholin-4-yl-2-oxoethyl)indole-5-carbothioamide
CID 107920546
1-(2-propylsulfonylethyl)indole-5-carbothioamide
CID 107920480
2-(6-carbamothioylindol-1-yl)acetamide
CID 107917375
2-(5-aminoindol-1-yl)-N,N-dimethylacetamide
CID 43165387
1-(2,2,2-trifluoroethyl)indole-5-carbothioamide
CID 107920497
1-[(2-methylphenyl)methyl]indole-5-carbothioamide
CID 107920515

Frequently Asked Questions

What is the IUPAC name of 2-(5-carbamothioylindol-1-yl)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(5-carbamothioylindol-1-yl)-N-methyl-N-propan-2-ylacetamide (CID 107920508) is 2-(5-carbamothioylindol-1-yl)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5-carbamothioylindol-1-yl)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5-carbamothioylindol-1-yl)-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)Cn1ccc2cc(C(N)=S)ccc21.
What is the InChIKey of 2-(5-carbamothioylindol-1-yl)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is XXWAUXBULMOVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10(2)17(3)14(19)9-18-7-6-11-8-12(15(16)20)4-5-13(11)18/h4-8,10H,9H2,1-3H3,(H2,16,20).
What are the key properties of 2-(5-carbamothioylindol-1-yl)-N-methyl-N-propan-2-ylacetamide?
2-(5-carbamothioylindol-1-yl)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 289.40 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-carbamothioylindol-1-yl)-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 107920508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).