6-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide

C11H12N4S2 — CID 63826078

IUPAC6-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide
SMILESNC(=S)c1ccc(NCCc2cscn2)nc1
InChIInChI=1S/C11H12N4S2/c12-11(16)8-1-2-10(14-5-8)13-4-3-9-6-17-7-15-9/h1-2,5-7H,3-4H2,(H2,12,16)(H,13,14)
InChIKeyJQTGVVSVTYOJLI-UHFFFAOYSA-N
MW264.38 g/mol
LogP1.83
Rot. Bonds5

About 6-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide

6-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide (PubChem CID 63826078) has the molecular formula C11H12N4S2 and a molecular weight of 264.38 g/mol. Its IUPAC name is 6-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide
PubChem CID63826078
Molecular FormulaC11H12N4S2
Molecular Weight264.38 g/mol
Exact Mass264.05
IUPAC Name6-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide
SMILESNC(=S)c1ccc(NCCc2cscn2)nc1
InChIInChI=1S/C11H12N4S2/c12-11(16)8-1-2-10(14-5-8)13-4-3-9-6-17-7-15-9/h1-2,5-7H,3-4H2,(H2,12,16)(H,13,14)
InChIKeyJQTGVVSVTYOJLI-UHFFFAOYSA-N
XLogP1.83
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-6-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxamide
CID 79829668
5-tert-butyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 107874695
2-methyl-4-[2-(1,3-thiazol-4-yl)ethylamino]benzenecarbothioamide
CID 81276841
6-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide
CID 54954330
3-methyl-4-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]benzenecarbothioamide
CID 106998243
6-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbothioamide
CID 43566303
4-[2-(1,3-thiazol-4-yl)ethylamino]-2-(trifluoromethyl)benzenecarbothioamide
CID 63826253
6-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2,6-diamine
CID 80647285
3-amino-2,2-dimethyl-3-sulfanylidene-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 63826251
6-(3-phenoxypropylamino)pyridine-3-carbothioamide
CID 62380787
3-[2-[(5-carbamothioyl-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83120944
3-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]pyridine-2-carbothioamide
CID 106597364

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide?
The IUPAC name of 6-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide (CID 63826078) is 6-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide.
What is the SMILES notation for 6-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide?
The canonical SMILES for 6-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide is NC(=S)c1ccc(NCCc2cscn2)nc1.
What is the InChIKey of 6-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide?
The InChIKey is JQTGVVSVTYOJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S2/c12-11(16)8-1-2-10(14-5-8)13-4-3-9-6-17-7-15-9/h1-2,5-7H,3-4H2,(H2,12,16)(H,13,14).
What are the key properties of 6-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide?
6-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide has a molecular weight of 264.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide is sourced from PubChem (CID 63826078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).