4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbothioamide

C12H15N5OS — CID 106399717

IUPAC4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbothioamide
SMILESCc1cc(C)c(C(N)=S)c(NCCc2ncno2)n1
InChIInChI=1S/C12H15N5OS/c1-7-5-8(2)17-12(10(7)11(13)19)14-4-3-9-15-6-16-18-9/h5-6H,3-4H2,1-2H3,(H2,13,19)(H,14,17)
InChIKeyNHUUJTQLBYHZDX-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.37
Rot. Bonds5

About 4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbothioamide

4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbothioamide (PubChem CID 106399717) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbothioamide
PubChem CID106399717
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbothioamide
SMILESCc1cc(C)c(C(N)=S)c(NCCc2ncno2)n1
InChIInChI=1S/C12H15N5OS/c1-7-5-8(2)17-12(10(7)11(13)19)14-4-3-9-15-6-16-18-9/h5-6H,3-4H2,1-2H3,(H2,13,19)(H,14,17)
InChIKeyNHUUJTQLBYHZDX-UHFFFAOYSA-N
XLogP1.37
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile
CID 103744395
methyl 3-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)amino]propanoate
CID 61295387
2-[2-(methanesulfonamido)ethylamino]-4,6-dimethylpyridine-3-carbothioamide
CID 61176710
2-hydrazinyl-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 106412476
4-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid
CID 106409642
5-bromo-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 103757218
4,6-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carbothioamide
CID 62056556
2-(2-methoxypropylamino)-4,6-dimethylpyridine-3-carbothioamide
CID 102698288
3-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)amino]-3-methylbutanamide
CID 106096792
6-N,5-dimethyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-4,6-diamine
CID 106412081
3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoxalin-2-amine
CID 103744317
5,6-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-4-carbonitrile
CID 103744374

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbothioamide?
The IUPAC name of 4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbothioamide (CID 106399717) is 4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbothioamide.
What is the SMILES notation for 4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbothioamide?
The canonical SMILES for 4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbothioamide is Cc1cc(C)c(C(N)=S)c(NCCc2ncno2)n1.
What is the InChIKey of 4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbothioamide?
The InChIKey is NHUUJTQLBYHZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-7-5-8(2)17-12(10(7)11(13)19)14-4-3-9-15-6-16-18-9/h5-6H,3-4H2,1-2H3,(H2,13,19)(H,14,17).
What are the key properties of 4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbothioamide?
4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbothioamide has a molecular weight of 277.35 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbothioamide is sourced from PubChem (CID 106399717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).