4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide

C14H23N3S — CID 81054890

IUPAC4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide
SMILESCCN(CC(C)C)c1cc(C)nc(C)c1C(N)=S
InChIInChI=1S/C14H23N3S/c1-6-17(8-9(2)3)12-7-10(4)16-11(5)13(12)14(15)18/h7,9H,6,8H2,1-5H3,(H2,15,18)
InChIKeyQDTTVCKODKAODC-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.81
Rot. Bonds5

About 4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide

4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide (PubChem CID 81054890) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide.

Molecular Properties

Compound Name4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide
PubChem CID81054890
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide
SMILESCCN(CC(C)C)c1cc(C)nc(C)c1C(N)=S
InChIInChI=1S/C14H23N3S/c1-6-17(8-9(2)3)12-7-10(4)16-11(5)13(12)14(15)18/h7,9H,6,8H2,1-5H3,(H2,15,18)
InChIKeyQDTTVCKODKAODC-UHFFFAOYSA-N
XLogP2.81
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[bis(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide
CID 81054896
4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81053761
4-[3-(dimethylamino)propyl-ethylamino]-2,6-dimethylpyridine-3-carbothioamide
CID 102993405
2,6-dimethyl-4-[methyl(3-methylbutyl)amino]pyridine-3-carbothioamide
CID 81054614
2-[(2-amino-2-oxoethyl)-(3-carbamothioyl-2,6-dimethyl-4-pyridinyl)amino]acetamide
CID 81054071
4-[cyclopentyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide
CID 81035477
4-(N-ethyl-2-fluoroanilino)-2,6-dimethylpyridine-3-carbothioamide
CID 81060052
4-[cyclopropylmethyl(propan-2-yl)amino]-2,6-dimethylpyridine-3-carbothioamide
CID 81054687
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81036735
4-[ethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81053977
2-(diethylamino)-4,6-dimethylpyridine-3-carbothioamide
CID 61177282
2,6-dimethyl-4-(N,3,5-trimethylanilino)pyridine-3-carbothioamide
CID 81061181

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide?
The IUPAC name of 4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide (CID 81054890) is 4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide.
What is the SMILES notation for 4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide?
The canonical SMILES for 4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide is CCN(CC(C)C)c1cc(C)nc(C)c1C(N)=S.
What is the InChIKey of 4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide?
The InChIKey is QDTTVCKODKAODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-6-17(8-9(2)3)12-7-10(4)16-11(5)13(12)14(15)18/h7,9H,6,8H2,1-5H3,(H2,15,18).
What are the key properties of 4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide?
4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide has a molecular weight of 265.43 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide is sourced from PubChem (CID 81054890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).