4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridin-3-amine

C11H14N4S2 — CID 65275069

IUPAC4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridin-3-amine
SMILESCC(C)(C)c1nsc(Sc2ccncc2N)n1
InChIInChI=1S/C11H14N4S2/c1-11(2,3)9-14-10(17-15-9)16-8-4-5-13-6-7(8)12/h4-6H,12H2,1-3H3
InChIKeyLGVJCTJDWMHUKH-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.96
Rot. Bonds2

About 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridin-3-amine

4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridin-3-amine (PubChem CID 65275069) has the molecular formula C11H14N4S2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridin-3-amine
PubChem CID65275069
Molecular FormulaC11H14N4S2
Molecular Weight266.39 g/mol
Exact Mass266.07
IUPAC Name4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridin-3-amine
SMILESCC(C)(C)c1nsc(Sc2ccncc2N)n1
InChIInChI=1S/C11H14N4S2/c1-11(2,3)9-14-10(17-15-9)16-8-4-5-13-6-7(8)12/h4-6H,12H2,1-3H3
InChIKeyLGVJCTJDWMHUKH-UHFFFAOYSA-N
XLogP2.96
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridin-3-amine
CID 65275072
4-(1,2,4-thiadiazol-5-ylsulfanyl)pyridin-3-amine
CID 65275012
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
CID 65274654
[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanol
CID 113371939
6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]isoquinolin-5-amine
CID 106948847
5-[(3-bromo-4-pyridinyl)sulfanyl]-3-ethyl-1,2,4-thiadiazole
CID 104779107
3-tert-butyl-5-[4-(methoxymethyl)phenyl]sulfanyl-1,2,4-thiadiazole
CID 133494060
4-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridin-3-amine
CID 62112470
4-(2,5-dimethylphenyl)sulfanylpyridin-3-amine
CID 28890544
4-(5-bromopyrimidin-2-yl)sulfanylpyridin-3-amine
CID 63872669
4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-3-amine
CID 43300079
3-tert-butyl-N-[(3-methyl-4-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
CID 114700767

Frequently Asked Questions

What is the IUPAC name of 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridin-3-amine?
The IUPAC name of 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridin-3-amine (CID 65275069) is 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridin-3-amine.
What is the SMILES notation for 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridin-3-amine?
The canonical SMILES for 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridin-3-amine is CC(C)(C)c1nsc(Sc2ccncc2N)n1.
What is the InChIKey of 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridin-3-amine?
The InChIKey is LGVJCTJDWMHUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S2/c1-11(2,3)9-14-10(17-15-9)16-8-4-5-13-6-7(8)12/h4-6H,12H2,1-3H3.
What are the key properties of 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridin-3-amine?
4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridin-3-amine has a molecular weight of 266.39 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridin-3-amine is sourced from PubChem (CID 65275069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).