2-(6-carbamothioylindol-1-yl)acetamide

C11H11N3OS — CID 107917375

IUPAC2-(6-carbamothioylindol-1-yl)acetamide
SMILESNC(=O)Cn1ccc2ccc(C(N)=S)cc21
InChIInChI=1S/C11H11N3OS/c12-10(15)6-14-4-3-7-1-2-8(11(13)16)5-9(7)14/h1-5H,6H2,(H2,12,15)(H2,13,16)
InChIKeySLBIFLKDUBVLIO-UHFFFAOYSA-N
MW233.30 g/mol
LogP0.76
Rot. Bonds3

About 2-(6-carbamothioylindol-1-yl)acetamide

2-(6-carbamothioylindol-1-yl)acetamide (PubChem CID 107917375) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-(6-carbamothioylindol-1-yl)acetamide.

Molecular Properties

Compound Name2-(6-carbamothioylindol-1-yl)acetamide
PubChem CID107917375
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name2-(6-carbamothioylindol-1-yl)acetamide
SMILESNC(=O)Cn1ccc2ccc(C(N)=S)cc21
InChIInChI=1S/C11H11N3OS/c12-10(15)6-14-4-3-7-1-2-8(11(13)16)5-9(7)14/h1-5H,6H2,(H2,12,15)(H2,13,16)
InChIKeySLBIFLKDUBVLIO-UHFFFAOYSA-N
XLogP0.76
TPSA74.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-2-oxoethyl)indole-6-carboxylic acid
CID 24720961
3-(6-carbamothioylindol-1-yl)propanamide
CID 107917374
[1-(2-amino-2-oxoethyl)indol-6-yl]boronic acid
CID 176706135
2-(6-formylindol-1-yl)acetamide
CID 28958282
1-[(4-bromophenyl)methyl]indole-6-carbothioamide
CID 107917511
1-(carboxymethyl)indole-6-carboxylic acid
CID 83948256
1-[(3,4-dichlorophenyl)methyl]indole-6-carbothioamide
CID 107917320
1-[(2-chlorophenyl)methyl]indole-6-carbothioamide
CID 107917358
1-[(3-hydroxyphenyl)methyl]indole-6-carbothioamide
CID 107917465
2-(5-carbamothioylindol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 107920508
2-(5-carbamothioylindol-1-yl)-N-cyclopropylacetamide
CID 107920614
1-(2-morpholin-4-yl-2-oxoethyl)indole-5-carbothioamide
CID 107920546

Frequently Asked Questions

What is the IUPAC name of 2-(6-carbamothioylindol-1-yl)acetamide?
The IUPAC name of 2-(6-carbamothioylindol-1-yl)acetamide (CID 107917375) is 2-(6-carbamothioylindol-1-yl)acetamide.
What is the SMILES notation for 2-(6-carbamothioylindol-1-yl)acetamide?
The canonical SMILES for 2-(6-carbamothioylindol-1-yl)acetamide is NC(=O)Cn1ccc2ccc(C(N)=S)cc21.
What is the InChIKey of 2-(6-carbamothioylindol-1-yl)acetamide?
The InChIKey is SLBIFLKDUBVLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c12-10(15)6-14-4-3-7-1-2-8(11(13)16)5-9(7)14/h1-5H,6H2,(H2,12,15)(H2,13,16).
What are the key properties of 2-(6-carbamothioylindol-1-yl)acetamide?
2-(6-carbamothioylindol-1-yl)acetamide has a molecular weight of 233.30 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-carbamothioylindol-1-yl)acetamide is sourced from PubChem (CID 107917375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).