2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carbothioamide

C10H11N5OS — CID 114183857

IUPAC2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carbothioamide
SMILESCc1nc(CNc2ncccc2C(N)=S)no1
InChIInChI=1S/C10H11N5OS/c1-6-14-8(15-16-6)5-13-10-7(9(11)17)3-2-4-12-10/h2-4H,5H2,1H3,(H2,11,17)(H,12,13)
InChIKeyPGFXTCCZNURESW-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.02
Rot. Bonds4

About 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carbothioamide

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carbothioamide (PubChem CID 114183857) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carbothioamide
PubChem CID114183857
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carbothioamide
SMILESCc1nc(CNc2ncccc2C(N)=S)no1
InChIInChI=1S/C10H11N5OS/c1-6-14-8(15-16-6)5-13-10-7(9(11)17)3-2-4-12-10/h2-4H,5H2,1H3,(H2,11,17)(H,12,13)
InChIKeyPGFXTCCZNURESW-UHFFFAOYSA-N
XLogP1.02
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.02
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

3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
CID 103748375
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]naphthalene-1-carbothioamide
CID 106399554
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carbothioamide
CID 114183854
4-methyl-2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,3-diamine
CID 106393081
2-[(3-methylphenyl)methylamino]pyridine-3-carbothioamide
CID 54944427
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-nitropyridin-3-amine
CID 103703201
3-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzenecarbothioamide
CID 106418030
2-(2,2-dimethylbutylamino)pyridine-3-carbothioamide
CID 103461840
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazine-2-carboxylic acid
CID 106409530
2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106413986
2-(2,3,3-trimethylbutylamino)pyridine-3-carbothioamide
CID 83144500
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxamide
CID 114180640

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carbothioamide?
The IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carbothioamide (CID 114183857) is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carbothioamide.
What is the SMILES notation for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carbothioamide?
The canonical SMILES for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carbothioamide is Cc1nc(CNc2ncccc2C(N)=S)no1.
What is the InChIKey of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carbothioamide?
The InChIKey is PGFXTCCZNURESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c1-6-14-8(15-16-6)5-13-10-7(9(11)17)3-2-4-12-10/h2-4H,5H2,1H3,(H2,11,17)(H,12,13).
What are the key properties of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carbothioamide?
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carbothioamide has a molecular weight of 249.30 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carbothioamide is sourced from PubChem (CID 114183857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).