2-[(5-carbamothioyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide

C11H16N4OS — CID 43375361

IUPAC2-[(5-carbamothioyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1ccc(C(N)=S)cn1
InChIInChI=1S/C11H16N4OS/c1-14(2)10(16)7-15(3)9-5-4-8(6-13-9)11(12)17/h4-6H,7H2,1-3H3,(H2,12,17)
InChIKeyJCXOTUJWYZJTOG-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.24
Rot. Bonds4

About 2-[(5-carbamothioyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide

2-[(5-carbamothioyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide (PubChem CID 43375361) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-[(5-carbamothioyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5-carbamothioyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide
PubChem CID43375361
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name2-[(5-carbamothioyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1ccc(C(N)=S)cn1
InChIInChI=1S/C11H16N4OS/c1-14(2)10(16)7-15(3)9-5-4-8(6-13-9)11(12)17/h4-6H,7H2,1-3H3,(H2,12,17)
InChIKeyJCXOTUJWYZJTOG-UHFFFAOYSA-N
XLogP0.24
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-carbamothioyl-2-pyridinyl)-methylamino]acetamide
CID 43374278
6-[butyl(methyl)amino]pyridine-3-carbothioamide
CID 24696338
6-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carbothioamide
CID 43565707
5-amino-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxamide
CID 114090087
6-[methyl(propan-2-yl)amino]pyridine-3-carbothioamide
CID 24700897
6-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carbothioamide
CID 114949466
6-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-3-carbothioamide
CID 61442067
6-[bis(2-methylpropyl)amino]pyridine-3-carbothioamide
CID 61378479
2-[(5-carbamothioyl-2-pyridinyl)-cyclopentylamino]acetamide
CID 54988862
2-[(4-carbamothioyl-2-pyridinyl)-methylamino]-N,N-diethylacetamide
CID 61452633
5-carbamothioyl-N-(2-hydroxypropyl)-N-methylpyridine-2-carboxamide
CID 55230597
6-[2-hydroxyethyl(pentan-3-yl)amino]pyridine-3-carbothioamide
CID 54998874

Frequently Asked Questions

What is the IUPAC name of 2-[(5-carbamothioyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5-carbamothioyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide (CID 43375361) is 2-[(5-carbamothioyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5-carbamothioyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5-carbamothioyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide is CN(C)C(=O)CN(C)c1ccc(C(N)=S)cn1.
What is the InChIKey of 2-[(5-carbamothioyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide?
The InChIKey is JCXOTUJWYZJTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-14(2)10(16)7-15(3)9-5-4-8(6-13-9)11(12)17/h4-6H,7H2,1-3H3,(H2,12,17).
What are the key properties of 2-[(5-carbamothioyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide?
2-[(5-carbamothioyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide has a molecular weight of 252.34 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-carbamothioyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 43375361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).