4-(1-pyridin-2-ylethylamino)pyridine-2-carbothioamide

C13H14N4S — CID 62925030

IUPAC4-(1-pyridin-2-ylethylamino)pyridine-2-carbothioamide
SMILESCC(Nc1ccnc(C(N)=S)c1)c1ccccn1
InChIInChI=1S/C13H14N4S/c1-9(11-4-2-3-6-15-11)17-10-5-7-16-12(8-10)13(14)18/h2-9H,1H3,(H2,14,18)(H,16,17)
InChIKeyJINRQQYWJWKDNU-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.28
Rot. Bonds4

About 4-(1-pyridin-2-ylethylamino)pyridine-2-carbothioamide

4-(1-pyridin-2-ylethylamino)pyridine-2-carbothioamide (PubChem CID 62925030) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 4-(1-pyridin-2-ylethylamino)pyridine-2-carbothioamide.

Molecular Properties

Compound Name4-(1-pyridin-2-ylethylamino)pyridine-2-carbothioamide
PubChem CID62925030
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name4-(1-pyridin-2-ylethylamino)pyridine-2-carbothioamide
SMILESCC(Nc1ccnc(C(N)=S)c1)c1ccccn1
InChIInChI=1S/C13H14N4S/c1-9(11-4-2-3-6-15-11)17-10-5-7-16-12(8-10)13(14)18/h2-9H,1H3,(H2,14,18)(H,16,17)
InChIKeyJINRQQYWJWKDNU-UHFFFAOYSA-N
XLogP2.28
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.28
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

4-(3-methylbutan-2-ylamino)pyridine-2-carbothioamide
CID 62926594
2-methyl-4-(1-pyridin-2-ylethylamino)benzenecarbothioamide
CID 81275979
N,N-dimethyl-4-(1-pyridin-2-ylethylamino)pyridine-2-carboxamide
CID 43397218
4-(1-cyclopropylethylamino)pyridine-2-carbothioamide
CID 62925384
4-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-2-carbothioamide
CID 62926966
4-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 62241386
4-(methylamino)pyridine-2-carbothioamide
CID 62926395
4-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbothioamide
CID 62926107
4-(4,4,4-trifluorobutan-2-ylamino)pyridine-2-carbothioamide
CID 114130420
4-(hexan-2-ylamino)pyridine-2-carbothioamide
CID 62924886
4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-2-carbothioamide
CID 62927132
4-[1-(furan-2-yl)propan-2-ylamino]pyridine-2-carbothioamide
CID 62925916

Frequently Asked Questions

What is the IUPAC name of 4-(1-pyridin-2-ylethylamino)pyridine-2-carbothioamide?
The IUPAC name of 4-(1-pyridin-2-ylethylamino)pyridine-2-carbothioamide (CID 62925030) is 4-(1-pyridin-2-ylethylamino)pyridine-2-carbothioamide.
What is the SMILES notation for 4-(1-pyridin-2-ylethylamino)pyridine-2-carbothioamide?
The canonical SMILES for 4-(1-pyridin-2-ylethylamino)pyridine-2-carbothioamide is CC(Nc1ccnc(C(N)=S)c1)c1ccccn1.
What is the InChIKey of 4-(1-pyridin-2-ylethylamino)pyridine-2-carbothioamide?
The InChIKey is JINRQQYWJWKDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-9(11-4-2-3-6-15-11)17-10-5-7-16-12(8-10)13(14)18/h2-9H,1H3,(H2,14,18)(H,16,17).
What are the key properties of 4-(1-pyridin-2-ylethylamino)pyridine-2-carbothioamide?
4-(1-pyridin-2-ylethylamino)pyridine-2-carbothioamide has a molecular weight of 258.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-pyridin-2-ylethylamino)pyridine-2-carbothioamide is sourced from PubChem (CID 62925030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).