1-(2-morpholin-4-yl-2-oxoethyl)indole-5-carbothioamide

C15H17N3O2S — CID 107920546

IUPAC1-(2-morpholin-4-yl-2-oxoethyl)indole-5-carbothioamide
SMILESNC(=S)c1ccc2c(ccn2CC(=O)N2CCOCC2)c1
InChIInChI=1S/C15H17N3O2S/c16-15(21)12-1-2-13-11(9-12)3-4-18(13)10-14(19)17-5-7-20-8-6-17/h1-4,9H,5-8,10H2,(H2,16,21)
InChIKeyKURWSZVDOWNHJE-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.13
Rot. Bonds3

About 1-(2-morpholin-4-yl-2-oxoethyl)indole-5-carbothioamide

1-(2-morpholin-4-yl-2-oxoethyl)indole-5-carbothioamide (PubChem CID 107920546) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 1-(2-morpholin-4-yl-2-oxoethyl)indole-5-carbothioamide.

Molecular Properties

Compound Name1-(2-morpholin-4-yl-2-oxoethyl)indole-5-carbothioamide
PubChem CID107920546
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name1-(2-morpholin-4-yl-2-oxoethyl)indole-5-carbothioamide
SMILESNC(=S)c1ccc2c(ccn2CC(=O)N2CCOCC2)c1
InChIInChI=1S/C15H17N3O2S/c16-15(21)12-1-2-13-11(9-12)3-4-18(13)10-14(19)17-5-7-20-8-6-17/h1-4,9H,5-8,10H2,(H2,16,21)
InChIKeyKURWSZVDOWNHJE-UHFFFAOYSA-N
XLogP1.13
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)indol-5-yl]propanamide;hydrochloride
CID 119310412
2-(5-carbamothioylindol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 107920508
2-(5-carbamothioylindol-1-yl)-N-cyclopropylacetamide
CID 107920614
2-(5-carbamothioylindol-1-yl)-N-cyclopropyl-N-methylacetamide
CID 107920598
2-(6-carbamothioylindol-1-yl)acetamide
CID 107917375
1-(2,2,2-trifluoroethyl)indole-5-carbothioamide
CID 107920497
4-hydroxy-N-[1-(2-morpholin-4-yl-2-oxoethyl)indol-5-yl]pyrrolidine-2-carboxamide
CID 119761069
3-(1-ethylindol-5-yl)-1-morpholin-4-ylpropan-1-one
CID 71840841
4-hydroxy-N-[1-(2-morpholin-4-yl-2-oxoethyl)indol-5-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119761068
1-(2-methylsulfonylethyl)indole-5-carbothioamide
CID 114016002
1-[2-(5-bromoindol-1-yl)acetyl]piperidin-4-one
CID 62025773
1-[2-(5-methylindol-1-yl)acetyl]piperidin-4-one
CID 63555836

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-yl-2-oxoethyl)indole-5-carbothioamide?
The IUPAC name of 1-(2-morpholin-4-yl-2-oxoethyl)indole-5-carbothioamide (CID 107920546) is 1-(2-morpholin-4-yl-2-oxoethyl)indole-5-carbothioamide.
What is the SMILES notation for 1-(2-morpholin-4-yl-2-oxoethyl)indole-5-carbothioamide?
The canonical SMILES for 1-(2-morpholin-4-yl-2-oxoethyl)indole-5-carbothioamide is NC(=S)c1ccc2c(ccn2CC(=O)N2CCOCC2)c1.
What is the InChIKey of 1-(2-morpholin-4-yl-2-oxoethyl)indole-5-carbothioamide?
The InChIKey is KURWSZVDOWNHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c16-15(21)12-1-2-13-11(9-12)3-4-18(13)10-14(19)17-5-7-20-8-6-17/h1-4,9H,5-8,10H2,(H2,16,21).
What are the key properties of 1-(2-morpholin-4-yl-2-oxoethyl)indole-5-carbothioamide?
1-(2-morpholin-4-yl-2-oxoethyl)indole-5-carbothioamide has a molecular weight of 303.39 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-yl-2-oxoethyl)indole-5-carbothioamide is sourced from PubChem (CID 107920546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).