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

C12H13N3S2 — CID 43534447

IUPAC2-(1-thiophen-2-ylethylamino)pyridine-3-carbothioamide
SMILESCC(Nc1ncccc1C(N)=S)c1cccs1
InChIInChI=1S/C12H13N3S2/c1-8(10-5-3-7-17-10)15-12-9(11(13)16)4-2-6-14-12/h2-8H,1H3,(H2,13,16)(H,14,15)
InChIKeyKWVHNBICKRLXHJ-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.95
Rot. Bonds4

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

2-(1-thiophen-2-ylethylamino)pyridine-3-carbothioamide (PubChem CID 43534447) has the molecular formula C12H13N3S2 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-(1-thiophen-2-ylethylamino)pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-(1-thiophen-2-ylethylamino)pyridine-3-carbothioamide
PubChem CID43534447
Molecular FormulaC12H13N3S2
Molecular Weight263.39 g/mol
Exact Mass263.06
IUPAC Name2-(1-thiophen-2-ylethylamino)pyridine-3-carbothioamide
SMILESCC(Nc1ncccc1C(N)=S)c1cccs1
InChIInChI=1S/C12H13N3S2/c1-8(10-5-3-7-17-10)15-12-9(11(13)16)4-2-6-14-12/h2-8H,1H3,(H2,13,16)(H,14,15)
InChIKeyKWVHNBICKRLXHJ-UHFFFAOYSA-N
XLogP2.95
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 52.95
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

methyl 2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylate
CID 60721902
methyl 2-[(3-carbamothioyl-2-pyridinyl)amino]propanoate
CID 61497791
N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 43397770
3-nitro-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 43397780
2-(octan-2-ylamino)pyridine-3-carbothioamide
CID 63518030
2-[(3-carbamothioyl-2-pyridinyl)amino]-N-propylpropanamide
CID 54958501
2-(2,3,3-trimethylbutylamino)pyridine-3-carbothioamide
CID 83144500
2-[1-(oxolan-2-yl)ethylamino]pyridine-3-carbothioamide
CID 43533950
2-[(3-carbamothioyl-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103110451
2-methoxy-N-(1-thiophen-2-ylethyl)pyridin-3-amine
CID 43721891
5-bromo-2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylic acid
CID 62000750
2-N,2-N-dimethyl-3-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine
CID 43707843

Frequently Asked Questions

What is the IUPAC name of 2-(1-thiophen-2-ylethylamino)pyridine-3-carbothioamide?
The IUPAC name of 2-(1-thiophen-2-ylethylamino)pyridine-3-carbothioamide (CID 43534447) is 2-(1-thiophen-2-ylethylamino)pyridine-3-carbothioamide.
What is the SMILES notation for 2-(1-thiophen-2-ylethylamino)pyridine-3-carbothioamide?
The canonical SMILES for 2-(1-thiophen-2-ylethylamino)pyridine-3-carbothioamide is CC(Nc1ncccc1C(N)=S)c1cccs1.
What is the InChIKey of 2-(1-thiophen-2-ylethylamino)pyridine-3-carbothioamide?
The InChIKey is KWVHNBICKRLXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S2/c1-8(10-5-3-7-17-10)15-12-9(11(13)16)4-2-6-14-12/h2-8H,1H3,(H2,13,16)(H,14,15).
What are the key properties of 2-(1-thiophen-2-ylethylamino)pyridine-3-carbothioamide?
2-(1-thiophen-2-ylethylamino)pyridine-3-carbothioamide has a molecular weight of 263.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thiophen-2-ylethylamino)pyridine-3-carbothioamide is sourced from PubChem (CID 43534447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).