N-[1-(dimethylamino)ethylidene]-6-methylpyridine-3-carbothioamide

C11H15N3S — CID 20745755

IUPACN-[1-(dimethylamino)ethylidene]-6-methylpyridine-3-carbothioamide
SMILESC/C(=N\C(=S)c1ccc(C)nc1)N(C)C
InChIInChI=1S/C11H15N3S/c1-8-5-6-10(7-12-8)11(15)13-9(2)14(3)4/h5-7H,1-4H3/b13-9+
InChIKeyFMXNKDHVBPWDKR-UKTHLTGXSA-N
MW221.33 g/mol
LogP2.05
Rot. Bonds1

About N-[1-(dimethylamino)ethylidene]-6-methylpyridine-3-carbothioamide

N-[1-(dimethylamino)ethylidene]-6-methylpyridine-3-carbothioamide (PubChem CID 20745755) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-[1-(dimethylamino)ethylidene]-6-methylpyridine-3-carbothioamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)ethylidene]-6-methylpyridine-3-carbothioamide
PubChem CID20745755
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC NameN-[1-(dimethylamino)ethylidene]-6-methylpyridine-3-carbothioamide
SMILESC/C(=N\C(=S)c1ccc(C)nc1)N(C)C
InChIInChI=1S/C11H15N3S/c1-8-5-6-10(7-12-8)11(15)13-9(2)14(3)4/h5-7H,1-4H3/b13-9+
InChIKeyFMXNKDHVBPWDKR-UKTHLTGXSA-N
XLogP2.05
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(6-methyl-3-pyridinyl)ethanethione
CID 56619669
ethane;6-methylpyridine-3-carbothioamide
CID 143699561
(NZ)-N-[1-(6-methyl-3-pyridinyl)ethylidene]hydroxylamine
CID 5355190
1-(6-methyl-3-pyridinyl)ethanone;hydrochloride
CID 67521674
[(Z)-1-(6-methyl-3-pyridinyl)ethylideneamino]thiourea
CID 5370842
(Z,3E)-3-[(Z)-ethylidenehydrazinylidene]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)but-1-en-1-amine
CID 137446337
toluene;N,N,6-trimethylpyridine-3-carboxamide;hydrate
CID 159310249
2,2-difluoro-1-(6-methyl-3-pyridinyl)ethanone
CID 112574268
N-methoxy-N,6-dimethylpyridine-3-carboxamide;1-(6-methyl-3-pyridinyl)ethanone
CID 159365691
[1-(6-methyl-3-pyridinyl)ethylideneamino]carbamic acid
CID 88517112
2-methyl-5-[(2E)-penta-2,4-dien-2-yl]pyridine
CID 145498149
2-(aminomethyl)-1-(6-methyl-3-pyridinyl)pentan-1-one
CID 116574417

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)ethylidene]-6-methylpyridine-3-carbothioamide?
The IUPAC name of N-[1-(dimethylamino)ethylidene]-6-methylpyridine-3-carbothioamide (CID 20745755) is N-[1-(dimethylamino)ethylidene]-6-methylpyridine-3-carbothioamide.
What is the SMILES notation for N-[1-(dimethylamino)ethylidene]-6-methylpyridine-3-carbothioamide?
The canonical SMILES for N-[1-(dimethylamino)ethylidene]-6-methylpyridine-3-carbothioamide is C/C(=N\C(=S)c1ccc(C)nc1)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)ethylidene]-6-methylpyridine-3-carbothioamide?
The InChIKey is FMXNKDHVBPWDKR-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H15N3S/c1-8-5-6-10(7-12-8)11(15)13-9(2)14(3)4/h5-7H,1-4H3/b13-9+.
What are the key properties of N-[1-(dimethylamino)ethylidene]-6-methylpyridine-3-carbothioamide?
N-[1-(dimethylamino)ethylidene]-6-methylpyridine-3-carbothioamide has a molecular weight of 221.33 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)ethylidene]-6-methylpyridine-3-carbothioamide is sourced from PubChem (CID 20745755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).