6-(thiophen-3-ylmethylamino)pyridine-2-carbothioamide

C11H11N3S2 — CID 64594893

IUPAC6-(thiophen-3-ylmethylamino)pyridine-2-carbothioamide
SMILESNC(=S)c1cccc(NCc2ccsc2)n1
InChIInChI=1S/C11H11N3S2/c12-11(15)9-2-1-3-10(14-9)13-6-8-4-5-16-7-8/h1-5,7H,6H2,(H2,12,15)(H,13,14)
InChIKeyCJMDURXKEYMTOZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.39
Rot. Bonds4

About 6-(thiophen-3-ylmethylamino)pyridine-2-carbothioamide

6-(thiophen-3-ylmethylamino)pyridine-2-carbothioamide (PubChem CID 64594893) has the molecular formula C11H11N3S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-(thiophen-3-ylmethylamino)pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-(thiophen-3-ylmethylamino)pyridine-2-carbothioamide
PubChem CID64594893
Molecular FormulaC11H11N3S2
Molecular Weight249.36 g/mol
Exact Mass249.04
IUPAC Name6-(thiophen-3-ylmethylamino)pyridine-2-carbothioamide
SMILESNC(=S)c1cccc(NCc2ccsc2)n1
InChIInChI=1S/C11H11N3S2/c12-11(15)9-2-1-3-10(14-9)13-6-8-4-5-16-7-8/h1-5,7H,6H2,(H2,12,15)(H,13,14)
InChIKeyCJMDURXKEYMTOZ-UHFFFAOYSA-N
XLogP2.39
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.39
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

6-[(4-bromothiophen-2-yl)methylamino]pyridine-2-carbothioamide
CID 64595488
6-(thiophen-3-ylamino)pyridine-2-carbothioamide
CID 66354994
6-(ethylamino)pyridine-2-carbothioamide
CID 64587628
N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 62315277
6-[(5-methylthiophen-2-yl)methylamino]pyridine-2-carbothioamide
CID 64596062
6-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carbothioamide
CID 64595487
6-[(3-chloro-4-fluorophenyl)methylamino]pyridine-2-carbothioamide
CID 64596457
6-hydrazinyl-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide
CID 63248051
6-N-(thiophen-3-ylmethyl)pyridine-2,3,6-triamine
CID 79827377
6-[(3-methyl-4-pyridinyl)methylamino]pyridine-2-carbothioamide
CID 114700514
6-(3-methylsulfonylpropylamino)pyridine-2-carbothioamide
CID 64587863
6-[(2-methylthiolan-2-yl)methylamino]pyridine-2-carbothioamide
CID 80738134

Frequently Asked Questions

What is the IUPAC name of 6-(thiophen-3-ylmethylamino)pyridine-2-carbothioamide?
The IUPAC name of 6-(thiophen-3-ylmethylamino)pyridine-2-carbothioamide (CID 64594893) is 6-(thiophen-3-ylmethylamino)pyridine-2-carbothioamide.
What is the SMILES notation for 6-(thiophen-3-ylmethylamino)pyridine-2-carbothioamide?
The canonical SMILES for 6-(thiophen-3-ylmethylamino)pyridine-2-carbothioamide is NC(=S)c1cccc(NCc2ccsc2)n1.
What is the InChIKey of 6-(thiophen-3-ylmethylamino)pyridine-2-carbothioamide?
The InChIKey is CJMDURXKEYMTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S2/c12-11(15)9-2-1-3-10(14-9)13-6-8-4-5-16-7-8/h1-5,7H,6H2,(H2,12,15)(H,13,14).
What are the key properties of 6-(thiophen-3-ylmethylamino)pyridine-2-carbothioamide?
6-(thiophen-3-ylmethylamino)pyridine-2-carbothioamide has a molecular weight of 249.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(thiophen-3-ylmethylamino)pyridine-2-carbothioamide is sourced from PubChem (CID 64594893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).