2-[(5-carbamothioyl-2-pyridinyl)-cyclopentylamino]acetamide

C13H18N4OS — CID 54988862

IUPAC2-[(5-carbamothioyl-2-pyridinyl)-cyclopentylamino]acetamide
SMILESNC(=O)CN(c1ccc(C(N)=S)cn1)C1CCCC1
InChIInChI=1S/C13H18N4OS/c14-11(18)8-17(10-3-1-2-4-10)12-6-5-9(7-16-12)13(15)19/h5-7,10H,1-4,8H2,(H2,14,18)(H2,15,19)
InChIKeyMPBWTMSZXYAZLQ-UHFFFAOYSA-N
MW278.38 g/mol
LogP0.95
Rot. Bonds5

About 2-[(5-carbamothioyl-2-pyridinyl)-cyclopentylamino]acetamide

2-[(5-carbamothioyl-2-pyridinyl)-cyclopentylamino]acetamide (PubChem CID 54988862) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-[(5-carbamothioyl-2-pyridinyl)-cyclopentylamino]acetamide.

Molecular Properties

Compound Name2-[(5-carbamothioyl-2-pyridinyl)-cyclopentylamino]acetamide
PubChem CID54988862
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name2-[(5-carbamothioyl-2-pyridinyl)-cyclopentylamino]acetamide
SMILESNC(=O)CN(c1ccc(C(N)=S)cn1)C1CCCC1
InChIInChI=1S/C13H18N4OS/c14-11(18)8-17(10-3-1-2-4-10)12-6-5-9(7-16-12)13(15)19/h5-7,10H,1-4,8H2,(H2,14,18)(H2,15,19)
InChIKeyMPBWTMSZXYAZLQ-UHFFFAOYSA-N
XLogP0.95
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[cyclopentyl(methyl)amino]pyridine-3-carbothioamide
CID 43267331
2-[cyclopentyl-[5-[(cyclopropylamino)methyl]-2-pyridinyl]amino]acetamide
CID 80632703
2-[(5-carbamothioyl-2-pyridinyl)-methylamino]acetamide
CID 43374278
6-[(2-amino-2-oxoethyl)-cyclopentylamino]-5-methylpyridine-3-carboxylic acid
CID 80632655
6-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carbothioamide
CID 54948080
2-(4-carbamothioyl-N-cyclopentyl-2,3-difluoroanilino)acetamide
CID 107934762
2-[(5-carbamothioyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide
CID 43375361
2-[(3-bromo-4-pyridinyl)-cyclopentylamino]acetamide
CID 104778295
2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]-cyclopentylamino]acetamide
CID 80629884
2-[cyclopentyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80806902
2-[cyclopentyl-(5-iodopyrimidin-4-yl)amino]acetamide
CID 66318147
6-[ethyl(piperidin-3-yl)amino]pyridine-3-carboxamide
CID 63637691

Frequently Asked Questions

What is the IUPAC name of 2-[(5-carbamothioyl-2-pyridinyl)-cyclopentylamino]acetamide?
The IUPAC name of 2-[(5-carbamothioyl-2-pyridinyl)-cyclopentylamino]acetamide (CID 54988862) is 2-[(5-carbamothioyl-2-pyridinyl)-cyclopentylamino]acetamide.
What is the SMILES notation for 2-[(5-carbamothioyl-2-pyridinyl)-cyclopentylamino]acetamide?
The canonical SMILES for 2-[(5-carbamothioyl-2-pyridinyl)-cyclopentylamino]acetamide is NC(=O)CN(c1ccc(C(N)=S)cn1)C1CCCC1.
What is the InChIKey of 2-[(5-carbamothioyl-2-pyridinyl)-cyclopentylamino]acetamide?
The InChIKey is MPBWTMSZXYAZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c14-11(18)8-17(10-3-1-2-4-10)12-6-5-9(7-16-12)13(15)19/h5-7,10H,1-4,8H2,(H2,14,18)(H2,15,19).
What are the key properties of 2-[(5-carbamothioyl-2-pyridinyl)-cyclopentylamino]acetamide?
2-[(5-carbamothioyl-2-pyridinyl)-cyclopentylamino]acetamide has a molecular weight of 278.38 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-carbamothioyl-2-pyridinyl)-cyclopentylamino]acetamide is sourced from PubChem (CID 54988862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).