6-methyl-2-(1-thiophen-3-ylethylamino)pyridine-3-carbothioamide

C13H15N3S2 — CID 62843891

IUPAC6-methyl-2-(1-thiophen-3-ylethylamino)pyridine-3-carbothioamide
SMILESCc1ccc(C(N)=S)c(NC(C)c2ccsc2)n1
InChIInChI=1S/C13H15N3S2/c1-8-3-4-11(12(14)17)13(15-8)16-9(2)10-5-6-18-7-10/h3-7,9H,1-2H3,(H2,14,17)(H,15,16)
InChIKeyJJWOXQKTCAMSDY-UHFFFAOYSA-N
MW277.42 g/mol
LogP3.26
Rot. Bonds4

About 6-methyl-2-(1-thiophen-3-ylethylamino)pyridine-3-carbothioamide

6-methyl-2-(1-thiophen-3-ylethylamino)pyridine-3-carbothioamide (PubChem CID 62843891) has the molecular formula C13H15N3S2 and a molecular weight of 277.42 g/mol. Its IUPAC name is 6-methyl-2-(1-thiophen-3-ylethylamino)pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-methyl-2-(1-thiophen-3-ylethylamino)pyridine-3-carbothioamide
PubChem CID62843891
Molecular FormulaC13H15N3S2
Molecular Weight277.42 g/mol
Exact Mass277.07
IUPAC Name6-methyl-2-(1-thiophen-3-ylethylamino)pyridine-3-carbothioamide
SMILESCc1ccc(C(N)=S)c(NC(C)c2ccsc2)n1
InChIInChI=1S/C13H15N3S2/c1-8-3-4-11(12(14)17)13(15-8)16-9(2)10-5-6-18-7-10/h3-7,9H,1-2H3,(H2,14,17)(H,15,16)
InChIKeyJJWOXQKTCAMSDY-UHFFFAOYSA-N
XLogP3.26
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-thiophen-3-ylethylamino)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79873882
2-(1-thiophen-3-ylethylamino)benzenecarbothioamide
CID 62843002
4,6-dimethyl-2-(1-thiophen-3-ylethylamino)pyridine-3-carbonitrile
CID 62840867
4-methyl-N-(1-thiophen-3-ylethyl)-1,3-thiazol-2-amine
CID 62842792
6-hydrazinyl-5-methyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine
CID 80919084
2-(1-thiophen-3-ylethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62845332
4-methyl-6-propan-2-yl-N-(1-thiophen-3-ylethyl)pyrimidin-2-amine
CID 113491500
3-methyl-N-(1-thiophen-3-ylethyl)quinolin-2-amine
CID 63229433
6-methyl-4-N-(1-thiophen-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327402
6-chloro-5-methyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine
CID 63729190
2,5-dichloro-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine
CID 79632615
6-methoxy-2-N-(1-thiophen-3-ylethyl)pyridine-2,5-diamine
CID 55121867

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1-thiophen-3-ylethylamino)pyridine-3-carbothioamide?
The IUPAC name of 6-methyl-2-(1-thiophen-3-ylethylamino)pyridine-3-carbothioamide (CID 62843891) is 6-methyl-2-(1-thiophen-3-ylethylamino)pyridine-3-carbothioamide.
What is the SMILES notation for 6-methyl-2-(1-thiophen-3-ylethylamino)pyridine-3-carbothioamide?
The canonical SMILES for 6-methyl-2-(1-thiophen-3-ylethylamino)pyridine-3-carbothioamide is Cc1ccc(C(N)=S)c(NC(C)c2ccsc2)n1.
What is the InChIKey of 6-methyl-2-(1-thiophen-3-ylethylamino)pyridine-3-carbothioamide?
The InChIKey is JJWOXQKTCAMSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S2/c1-8-3-4-11(12(14)17)13(15-8)16-9(2)10-5-6-18-7-10/h3-7,9H,1-2H3,(H2,14,17)(H,15,16).
What are the key properties of 6-methyl-2-(1-thiophen-3-ylethylamino)pyridine-3-carbothioamide?
6-methyl-2-(1-thiophen-3-ylethylamino)pyridine-3-carbothioamide has a molecular weight of 277.42 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1-thiophen-3-ylethylamino)pyridine-3-carbothioamide is sourced from PubChem (CID 62843891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).