5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-2-carbothioamide

C13H16N4OS — CID 115488708

IUPAC5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-2-carbothioamide
SMILESCc1noc(C)c1C(C)Nc1ccc(C(N)=S)nc1
InChIInChI=1S/C13H16N4OS/c1-7(12-8(2)17-18-9(12)3)16-10-4-5-11(13(14)19)15-6-10/h4-7,16H,1-3H3,(H2,14,19)
InChIKeyAHZYYOSPUSFHSA-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.49
Rot. Bonds4

About 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-2-carbothioamide

5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-2-carbothioamide (PubChem CID 115488708) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-2-carbothioamide
PubChem CID115488708
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-2-carbothioamide
SMILESCc1noc(C)c1C(C)Nc1ccc(C(N)=S)nc1
InChIInChI=1S/C13H16N4OS/c1-7(12-8(2)17-18-9(12)3)16-10-4-5-11(13(14)19)15-6-10/h4-7,16H,1-3H3,(H2,14,19)
InChIKeyAHZYYOSPUSFHSA-UHFFFAOYSA-N
XLogP2.49
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.49
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

2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidine-2,5-diamine
CID 79224969
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]naphthalen-2-amine
CID 79242430
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine
CID 78961774
5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine
CID 78961715
5-(hexan-3-ylamino)pyridine-2-carbothioamide
CID 115488507
5-[(4-propan-2-ylphenyl)methylamino]pyridine-2-carbothioamide
CID 115488478
5-(3,4-dimethylanilino)pyridine-2-carbothioamide
CID 113320767
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]quinazolin-2-amine
CID 114789182
1-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methylbenzene-1,2-diamine
CID 79225191
1-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbenzene-1,2-diamine
CID 114041311
5-(4-fluoro-2-methylanilino)pyridine-2-carbothioamide
CID 115488157
3,5-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-hydrazinylpyridin-2-amine
CID 102762257

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-2-carbothioamide?
The IUPAC name of 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-2-carbothioamide (CID 115488708) is 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-2-carbothioamide.
What is the SMILES notation for 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-2-carbothioamide?
The canonical SMILES for 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-2-carbothioamide is Cc1noc(C)c1C(C)Nc1ccc(C(N)=S)nc1.
What is the InChIKey of 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-2-carbothioamide?
The InChIKey is AHZYYOSPUSFHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-7(12-8(2)17-18-9(12)3)16-10-4-5-11(13(14)19)15-6-10/h4-7,16H,1-3H3,(H2,14,19).
What are the key properties of 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-2-carbothioamide?
5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-2-carbothioamide has a molecular weight of 276.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-2-carbothioamide is sourced from PubChem (CID 115488708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).