3-tert-butyl-N-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine

C12H16N4S — CID 65271142

IUPAC3-tert-butyl-N-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)c1nsc(NCc2ccccn2)n1
InChIInChI=1S/C12H16N4S/c1-12(2,3)10-15-11(17-16-10)14-8-9-6-4-5-7-13-9/h4-7H,8H2,1-3H3,(H,14,15,16)
InChIKeyCCIRPJLJDGQXTF-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.84
Rot. Bonds3

About 3-tert-butyl-N-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine

3-tert-butyl-N-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65271142) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-tert-butyl-N-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65271142
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name3-tert-butyl-N-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)c1nsc(NCc2ccccn2)n1
InChIInChI=1S/C12H16N4S/c1-12(2,3)10-15-11(17-16-10)14-8-9-6-4-5-7-13-9/h4-7H,8H2,1-3H3,(H,14,15,16)
InChIKeyCCIRPJLJDGQXTF-UHFFFAOYSA-N
XLogP2.84
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-tert-butyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65276825
N-[(2-methylpyrimidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304782
2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 81000690
N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 42281689
3-tert-butyl-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 127939534
3-tert-butyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 104952782
N-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 90133926
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
N-[(2-ethylphenyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304994
4-phenyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103382621
4-amino-2-(tert-butylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116668709

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 65271142) is 3-tert-butyl-N-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine is CC(C)(C)c1nsc(NCc2ccccn2)n1.
What is the InChIKey of 3-tert-butyl-N-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is CCIRPJLJDGQXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-12(2,3)10-15-11(17-16-10)14-8-9-6-4-5-7-13-9/h4-7H,8H2,1-3H3,(H,14,15,16).
What are the key properties of 3-tert-butyl-N-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 248.35 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).