N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide

C8H8ClN3OS — CID 6457327

IUPACN-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide
SMILESCC(=O)NC(=S)Nc1ccc(Cl)cn1
InChIInChI=1S/C8H8ClN3OS/c1-5(13)11-8(14)12-7-3-2-6(9)4-10-7/h2-4H,1H3,(H2,10,11,12,13,14)
InChIKeyIUMFXGXTPYONHJ-UHFFFAOYSA-N
MW229.69 g/mol
LogP1.57
Rot. Bonds1

About N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide

N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide (PubChem CID 6457327) has the molecular formula C8H8ClN3OS and a molecular weight of 229.69 g/mol. Its IUPAC name is N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide.

Molecular Properties

Compound NameN-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide
PubChem CID6457327
Molecular FormulaC8H8ClN3OS
Molecular Weight229.69 g/mol
Exact Mass229.01
IUPAC NameN-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide
SMILESCC(=O)NC(=S)Nc1ccc(Cl)cn1
InChIInChI=1S/C8H8ClN3OS/c1-5(13)11-8(14)12-7-3-2-6(9)4-10-7/h2-4H,1H3,(H2,10,11,12,13,14)
InChIKeyIUMFXGXTPYONHJ-UHFFFAOYSA-N
XLogP1.57
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 51.57
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

2-chloro-N-[(5-chloro-2-pyridinyl)carbamothioyl]benzamide
CID 881777
N-[(5-chloro-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide
CID 1048122
2-bromo-N-[(5-chloro-2-pyridinyl)carbamothioyl]benzamide
CID 1335961
N-[(5-chloro-2-pyridinyl)carbamothioyl]-2-(4-methylphenoxy)acetamide
CID 880444
1-(5-chloro-2-pyridinyl)-3-(2-methoxyethyl)thiourea
CID 19686299
2-(1-adamantyl)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide
CID 3906947
1-(5-chloro-2-methylphenyl)-3-(5-chloro-2-pyridinyl)thiourea
CID 19686283
2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride
CID 152602540
(Z)-N-[(5-chloro-2-pyridinyl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 2205813
2-methyl-N-[(1S)-2,2,2-trichloro-1-[(5-chloro-2-pyridinyl)carbamothioylamino]ethyl]propanamide
CID 40510260
[(5-chloro-2-pyridinyl)amino] acetate
CID 55278960
(2S)-2-amino-N-(5-chloro-2-pyridinyl)propanamide
CID 61146165

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide?
The IUPAC name of N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide (CID 6457327) is N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide.
What is the SMILES notation for N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide?
The canonical SMILES for N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide is CC(=O)NC(=S)Nc1ccc(Cl)cn1.
What is the InChIKey of N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide?
The InChIKey is IUMFXGXTPYONHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3OS/c1-5(13)11-8(14)12-7-3-2-6(9)4-10-7/h2-4H,1H3,(H2,10,11,12,13,14).
What are the key properties of N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide?
N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide has a molecular weight of 229.69 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide is sourced from PubChem (CID 6457327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).