N-[(6-chloro-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine

C9H9ClN4S — CID 133319260

IUPACN-[(6-chloro-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCc2ccc(Cl)nc2)n1
InChIInChI=1S/C9H9ClN4S/c1-6-13-9(15-14-6)12-5-7-2-3-8(10)11-4-7/h2-4H,5H2,1H3,(H,12,13,14)
InChIKeyOJFZVFIRPSLTQA-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.51
Rot. Bonds3

About N-[(6-chloro-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine

N-[(6-chloro-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 133319260) has the molecular formula C9H9ClN4S and a molecular weight of 240.72 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID133319260
Molecular FormulaC9H9ClN4S
Molecular Weight240.72 g/mol
Exact Mass240.02
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCc2ccc(Cl)nc2)n1
InChIInChI=1S/C9H9ClN4S/c1-6-13-9(15-14-6)12-5-7-2-3-8(10)11-4-7/h2-4H,5H2,1H3,(H,12,13,14)
InChIKeyOJFZVFIRPSLTQA-UHFFFAOYSA-N
XLogP2.51
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133317599
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133318360
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133318732
(6-chloro-3-pyridinyl)methylhydrazine;hydrochloride
CID 53229944
6-chloro-4-N-[(6-chloro-3-pyridinyl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 56654219
2-[(6-chloro-3-pyridinyl)methylamino]-1,3-thiazole-5-carbaldehyde
CID 88946989
N-[(6-chloro-3-pyridinyl)methyl]-2-methylpyridin-3-amine
CID 115748626
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133318041
3-(1-methoxyethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
CID 114268272
3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133317905
4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-pyridin-4-ylbenzamide
CID 136528474
N-(3-chloropropyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65273352

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 133319260) is N-[(6-chloro-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NCc2ccc(Cl)nc2)n1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is OJFZVFIRPSLTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4S/c1-6-13-9(15-14-6)12-5-7-2-3-8(10)11-4-7/h2-4H,5H2,1H3,(H,12,13,14).
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[(6-chloro-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 240.72 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133319260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).