2-(1-adamantyl)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide

C18H22ClN3OS — CID 3906947

IUPAC2-(1-adamantyl)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccc(Cl)cn1
InChIInChI=1S/C18H22ClN3OS/c19-14-1-2-15(20-10-14)21-17(24)22-16(23)9-18-6-11-3-12(7-18)5-13(4-11)8-18/h1-2,10-13H,3-9H2,(H2,20,21,22,23,24)
InChIKeyRZKYXHVNKYCAPN-UHFFFAOYSA-N
MW363.91 g/mol
LogP4.15
Rot. Bonds3

About 2-(1-adamantyl)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide

2-(1-adamantyl)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide (PubChem CID 3906947) has the molecular formula C18H22ClN3OS and a molecular weight of 363.91 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide
PubChem CID3906947
Molecular FormulaC18H22ClN3OS
Molecular Weight363.91 g/mol
Exact Mass363.12
IUPAC Name2-(1-adamantyl)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccc(Cl)cn1
InChIInChI=1S/C18H22ClN3OS/c19-14-1-2-15(20-10-14)21-17(24)22-16(23)9-18-6-11-3-12(7-18)5-13(4-11)8-18/h1-2,10-13H,3-9H2,(H2,20,21,22,23,24)
InChIKeyRZKYXHVNKYCAPN-UHFFFAOYSA-N
XLogP4.15
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 54.15
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-(1-adamantyl)-N-[(5-iodo-2-pyridinyl)carbamothioyl]acetamide
CID 2958999
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 55309468
2-(1-adamantyl)-N-[(4-chloro-2-nitrophenyl)carbamothioyl]acetamide
CID 4544132
N-(5-chloro-2-pyridinyl)adamantane-1-carboxamide
CID 2848364
N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide
CID 6457327
N-[(4-acetylphenyl)carbamothioyl]-2-(1-adamantyl)acetamide
CID 3517880
2-(1-adamantyl)-N-(quinolin-8-ylcarbamothioyl)acetamide
CID 2963804
N-[(5-chloro-2-pyridinyl)carbamothioyl]-2-(4-methylphenoxy)acetamide
CID 880444
2-chloro-N-[(5-chloro-2-pyridinyl)carbamothioyl]benzamide
CID 881777
2-(1-adamantyl)-N-(anilinocarbamothioyl)acetamide
CID 3988749
2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
CID 17270594
2-(1-adamantyl)-N-(3,5-dichlorophenyl)acetamide
CID 3436472

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide (CID 3906947) is 2-(1-adamantyl)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccc(Cl)cn1.
What is the InChIKey of 2-(1-adamantyl)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide?
The InChIKey is RZKYXHVNKYCAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3OS/c19-14-1-2-15(20-10-14)21-17(24)22-16(23)9-18-6-11-3-12(7-18)5-13(4-11)8-18/h1-2,10-13H,3-9H2,(H2,20,21,22,23,24).
What are the key properties of 2-(1-adamantyl)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide?
2-(1-adamantyl)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide has a molecular weight of 363.91 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide is sourced from PubChem (CID 3906947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).