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

C15H19N3S2 — CID 61437514

IUPAC2-[ethyl(thiophen-2-ylmethyl)amino]-4,6-dimethylpyridine-3-carbothioamide
SMILESCCN(Cc1cccs1)c1nc(C)cc(C)c1C(N)=S
InChIInChI=1S/C15H19N3S2/c1-4-18(9-12-6-5-7-20-12)15-13(14(16)19)10(2)8-11(3)17-15/h5-8H,4,9H2,1-3H3,(H2,16,19)
InChIKeyJNQXGHPQEDXMQP-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.42
Rot. Bonds5

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

2-[ethyl(thiophen-2-ylmethyl)amino]-4,6-dimethylpyridine-3-carbothioamide (PubChem CID 61437514) has the molecular formula C15H19N3S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is 2-[ethyl(thiophen-2-ylmethyl)amino]-4,6-dimethylpyridine-3-carbothioamide.

Molecular Properties

Compound Name2-[ethyl(thiophen-2-ylmethyl)amino]-4,6-dimethylpyridine-3-carbothioamide
PubChem CID61437514
Molecular FormulaC15H19N3S2
Molecular Weight305.47 g/mol
Exact Mass305.10
IUPAC Name2-[ethyl(thiophen-2-ylmethyl)amino]-4,6-dimethylpyridine-3-carbothioamide
SMILESCCN(Cc1cccs1)c1nc(C)cc(C)c1C(N)=S
InChIInChI=1S/C15H19N3S2/c1-4-18(9-12-6-5-7-20-12)15-13(14(16)19)10(2)8-11(3)17-15/h5-8H,4,9H2,1-3H3,(H2,16,19)
InChIKeyJNQXGHPQEDXMQP-UHFFFAOYSA-N
XLogP3.42
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(thiophen-2-ylmethyl)amino]-4,6-dimethylpyridine-3-carbothioamide?
The IUPAC name of 2-[ethyl(thiophen-2-ylmethyl)amino]-4,6-dimethylpyridine-3-carbothioamide (CID 61437514) is 2-[ethyl(thiophen-2-ylmethyl)amino]-4,6-dimethylpyridine-3-carbothioamide.
What is the SMILES notation for 2-[ethyl(thiophen-2-ylmethyl)amino]-4,6-dimethylpyridine-3-carbothioamide?
The canonical SMILES for 2-[ethyl(thiophen-2-ylmethyl)amino]-4,6-dimethylpyridine-3-carbothioamide is CCN(Cc1cccs1)c1nc(C)cc(C)c1C(N)=S.
What is the InChIKey of 2-[ethyl(thiophen-2-ylmethyl)amino]-4,6-dimethylpyridine-3-carbothioamide?
The InChIKey is JNQXGHPQEDXMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S2/c1-4-18(9-12-6-5-7-20-12)15-13(14(16)19)10(2)8-11(3)17-15/h5-8H,4,9H2,1-3H3,(H2,16,19).
What are the key properties of 2-[ethyl(thiophen-2-ylmethyl)amino]-4,6-dimethylpyridine-3-carbothioamide?
2-[ethyl(thiophen-2-ylmethyl)amino]-4,6-dimethylpyridine-3-carbothioamide has a molecular weight of 305.47 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(thiophen-2-ylmethyl)amino]-4,6-dimethylpyridine-3-carbothioamide is sourced from PubChem (CID 61437514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).