4-[2-(2-methoxyethoxy)ethylamino]-2,6-dimethylpyridine-3-carbothioamide

C13H21N3O2S — CID 81053930

IUPAC4-[2-(2-methoxyethoxy)ethylamino]-2,6-dimethylpyridine-3-carbothioamide
SMILESCOCCOCCNc1cc(C)nc(C)c1C(N)=S
InChIInChI=1S/C13H21N3O2S/c1-9-8-11(12(13(14)19)10(2)16-9)15-4-5-18-7-6-17-3/h8H,4-7H2,1-3H3,(H2,14,19)(H,15,16)
InChIKeyCDCXLUMRJHOULK-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.41
Rot. Bonds8

About 4-[2-(2-methoxyethoxy)ethylamino]-2,6-dimethylpyridine-3-carbothioamide

4-[2-(2-methoxyethoxy)ethylamino]-2,6-dimethylpyridine-3-carbothioamide (PubChem CID 81053930) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)ethylamino]-2,6-dimethylpyridine-3-carbothioamide.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)ethylamino]-2,6-dimethylpyridine-3-carbothioamide
PubChem CID81053930
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name4-[2-(2-methoxyethoxy)ethylamino]-2,6-dimethylpyridine-3-carbothioamide
SMILESCOCCOCCNc1cc(C)nc(C)c1C(N)=S
InChIInChI=1S/C13H21N3O2S/c1-9-8-11(12(13(14)19)10(2)16-9)15-4-5-18-7-6-17-3/h8H,4-7H2,1-3H3,(H2,14,19)(H,15,16)
InChIKeyCDCXLUMRJHOULK-UHFFFAOYSA-N
XLogP1.41
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(ethylamino)-2,6-dimethylpyridine-3-carbothioamide
CID 81060050
4-[2-(dimethylamino)ethylamino]-2,6-dimethylpyridine-3-carbothioamide
CID 81060049
2,6-dimethyl-4-(octylamino)pyridine-3-carbothioamide
CID 115568255
2,6-dimethyl-4-(3-methylsulfanylpropylamino)pyridine-3-carbothioamide
CID 81053938
2-chloro-6-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide
CID 62497704
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide
CID 106372577
2,6-dimethyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbothioamide
CID 106418028
4-(2,3-dimethylbutylamino)-2,6-dimethylpyridine-3-carbothioamide
CID 81054632
2,6-dimethyl-4-(2-methylbutylamino)pyridine-3-carbothioamide
CID 81054421
3-[(3-carbamothioyl-2,6-dimethyl-4-pyridinyl)amino]-3-methylbutanamide
CID 106096783
2,6-dimethyl-4-(2-phenylpropylamino)pyridine-3-carbothioamide
CID 104591581
2,6-dimethyl-4-(2-methylpentan-2-ylamino)pyridine-3-carbothioamide
CID 113471759

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxy)ethylamino]-2,6-dimethylpyridine-3-carbothioamide?
The IUPAC name of 4-[2-(2-methoxyethoxy)ethylamino]-2,6-dimethylpyridine-3-carbothioamide (CID 81053930) is 4-[2-(2-methoxyethoxy)ethylamino]-2,6-dimethylpyridine-3-carbothioamide.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)ethylamino]-2,6-dimethylpyridine-3-carbothioamide?
The canonical SMILES for 4-[2-(2-methoxyethoxy)ethylamino]-2,6-dimethylpyridine-3-carbothioamide is COCCOCCNc1cc(C)nc(C)c1C(N)=S.
What is the InChIKey of 4-[2-(2-methoxyethoxy)ethylamino]-2,6-dimethylpyridine-3-carbothioamide?
The InChIKey is CDCXLUMRJHOULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-9-8-11(12(13(14)19)10(2)16-9)15-4-5-18-7-6-17-3/h8H,4-7H2,1-3H3,(H2,14,19)(H,15,16).
What are the key properties of 4-[2-(2-methoxyethoxy)ethylamino]-2,6-dimethylpyridine-3-carbothioamide?
4-[2-(2-methoxyethoxy)ethylamino]-2,6-dimethylpyridine-3-carbothioamide has a molecular weight of 283.40 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)ethylamino]-2,6-dimethylpyridine-3-carbothioamide is sourced from PubChem (CID 81053930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).