2-(2-carbamothioyl-5-chloroanilino)acetamide

C9H10ClN3OS — CID 63083530

IUPAC2-(2-carbamothioyl-5-chloroanilino)acetamide
SMILESNC(=O)CNc1cc(Cl)ccc1C(N)=S
InChIInChI=1S/C9H10ClN3OS/c10-5-1-2-6(9(12)15)7(3-5)13-4-8(11)14/h1-3,13H,4H2,(H2,11,14)(H2,12,15)
InChIKeyJTOADUNKTQGZTL-UHFFFAOYSA-N
MW243.72 g/mol
LogP0.87
Rot. Bonds4

About 2-(2-carbamothioyl-5-chloroanilino)acetamide

2-(2-carbamothioyl-5-chloroanilino)acetamide (PubChem CID 63083530) has the molecular formula C9H10ClN3OS and a molecular weight of 243.72 g/mol. Its IUPAC name is 2-(2-carbamothioyl-5-chloroanilino)acetamide.

Molecular Properties

Compound Name2-(2-carbamothioyl-5-chloroanilino)acetamide
PubChem CID63083530
Molecular FormulaC9H10ClN3OS
Molecular Weight243.72 g/mol
Exact Mass243.02
IUPAC Name2-(2-carbamothioyl-5-chloroanilino)acetamide
SMILESNC(=O)CNc1cc(Cl)ccc1C(N)=S
InChIInChI=1S/C9H10ClN3OS/c10-5-1-2-6(9(12)15)7(3-5)13-4-8(11)14/h1-3,13H,4H2,(H2,11,14)(H2,12,15)
InChIKeyJTOADUNKTQGZTL-UHFFFAOYSA-N
XLogP0.87
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(2,2-dimethylpropylamino)benzenecarbothioamide
CID 63082011
N-(2-carbamothioyl-5-chlorophenyl)-2,2-dimethylbutanamide
CID 64915596
2-[(4-bromophenyl)methylamino]-4-chlorobenzenecarbothioamide
CID 63082341
4-chloro-2-(3-methylbutylamino)benzenecarbothioamide
CID 63083542
2-(4-carbamothioyl-2,3-difluoroanilino)acetamide
CID 107934350
4-chloro-2-[[2-(dimethylamino)-2-methylpropyl]amino]benzenecarbothioamide
CID 63093509
1-tert-butyl-3-(2-carbamothioyl-5-chlorophenyl)urea
CID 64917889
N-butan-2-yl-3-(2-carbamothioyl-5-chloroanilino)propanamide
CID 63092321
4-chloro-2-[(2-ethoxy-2-methylpropyl)amino]benzenecarbothioamide
CID 114942543
2-(2-carbamothioyl-4-chloroanilino)-N,N-dimethylacetamide
CID 62493002
N-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide
CID 64916810
2-(tert-butylsulfonylamino)-4-chlorobenzenecarbothioamide
CID 64917473

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamothioyl-5-chloroanilino)acetamide?
The IUPAC name of 2-(2-carbamothioyl-5-chloroanilino)acetamide (CID 63083530) is 2-(2-carbamothioyl-5-chloroanilino)acetamide.
What is the SMILES notation for 2-(2-carbamothioyl-5-chloroanilino)acetamide?
The canonical SMILES for 2-(2-carbamothioyl-5-chloroanilino)acetamide is NC(=O)CNc1cc(Cl)ccc1C(N)=S.
What is the InChIKey of 2-(2-carbamothioyl-5-chloroanilino)acetamide?
The InChIKey is JTOADUNKTQGZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3OS/c10-5-1-2-6(9(12)15)7(3-5)13-4-8(11)14/h1-3,13H,4H2,(H2,11,14)(H2,12,15).
What are the key properties of 2-(2-carbamothioyl-5-chloroanilino)acetamide?
2-(2-carbamothioyl-5-chloroanilino)acetamide has a molecular weight of 243.72 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamothioyl-5-chloroanilino)acetamide is sourced from PubChem (CID 63083530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).