2-methyl-6-[2-(2-methylpropoxy)ethylamino]pyridine-4-carbothioamide

C13H21N3OS — CID 114768008

IUPAC2-methyl-6-[2-(2-methylpropoxy)ethylamino]pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(NCCOCC(C)C)n1
InChIInChI=1S/C13H21N3OS/c1-9(2)8-17-5-4-15-12-7-11(13(14)18)6-10(3)16-12/h6-7,9H,4-5,8H2,1-3H3,(H2,14,18)(H,15,16)
InChIKeyMWCVQVQGWIFJAK-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.11
Rot. Bonds7

About 2-methyl-6-[2-(2-methylpropoxy)ethylamino]pyridine-4-carbothioamide

2-methyl-6-[2-(2-methylpropoxy)ethylamino]pyridine-4-carbothioamide (PubChem CID 114768008) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-methyl-6-[2-(2-methylpropoxy)ethylamino]pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-methyl-6-[2-(2-methylpropoxy)ethylamino]pyridine-4-carbothioamide
PubChem CID114768008
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-methyl-6-[2-(2-methylpropoxy)ethylamino]pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(NCCOCC(C)C)n1
InChIInChI=1S/C13H21N3OS/c1-9(2)8-17-5-4-15-12-7-11(13(14)18)6-10(3)16-12/h6-7,9H,4-5,8H2,1-3H3,(H2,14,18)(H,15,16)
InChIKeyMWCVQVQGWIFJAK-UHFFFAOYSA-N
XLogP2.11
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-methyl-6-(3-phenylbutylamino)pyridine-4-carbothioamide
CID 114767627
N-butan-2-yl-3-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]propanamide
CID 114767532
2-methyl-6-(propan-2-ylamino)pyridine-4-carbothioamide
CID 58503833
methyl 2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]acetate
CID 114767112
2-[2-(4-chlorophenyl)ethylamino]-6-methylpyridine-4-carbothioamide
CID 114767308
2-methyl-6-[(4-propan-2-ylphenyl)methylamino]pyridine-4-carbothioamide
CID 114767533
2-methyl-6-(2-methylbutan-2-ylamino)pyridine-4-carbothioamide
CID 114767006
6-[3-(2-methylpropoxy)propylamino]pyridine-3-carbothioamide
CID 114098075
2-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carbothioamide
CID 114767799
2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-4-carboxylic acid
CID 113378613
2-methyl-4-[2-(2-methylpropoxy)ethylamino]-1H-pyrimidin-6-one
CID 136957285
2-methyl-6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carbothioamide
CID 114767931

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-(2-methylpropoxy)ethylamino]pyridine-4-carbothioamide?
The IUPAC name of 2-methyl-6-[2-(2-methylpropoxy)ethylamino]pyridine-4-carbothioamide (CID 114768008) is 2-methyl-6-[2-(2-methylpropoxy)ethylamino]pyridine-4-carbothioamide.
What is the SMILES notation for 2-methyl-6-[2-(2-methylpropoxy)ethylamino]pyridine-4-carbothioamide?
The canonical SMILES for 2-methyl-6-[2-(2-methylpropoxy)ethylamino]pyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(NCCOCC(C)C)n1.
What is the InChIKey of 2-methyl-6-[2-(2-methylpropoxy)ethylamino]pyridine-4-carbothioamide?
The InChIKey is MWCVQVQGWIFJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-9(2)8-17-5-4-15-12-7-11(13(14)18)6-10(3)16-12/h6-7,9H,4-5,8H2,1-3H3,(H2,14,18)(H,15,16).
What are the key properties of 2-methyl-6-[2-(2-methylpropoxy)ethylamino]pyridine-4-carbothioamide?
2-methyl-6-[2-(2-methylpropoxy)ethylamino]pyridine-4-carbothioamide has a molecular weight of 267.40 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-(2-methylpropoxy)ethylamino]pyridine-4-carbothioamide is sourced from PubChem (CID 114768008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).