3-tert-butyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine

C11H20N4S — CID 65275948

IUPAC3-tert-butyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)c1nsc(NC2CCCNC2)n1
InChIInChI=1S/C11H20N4S/c1-11(2,3)9-14-10(16-15-9)13-8-5-4-6-12-7-8/h8,12H,4-7H2,1-3H3,(H,13,14,15)
InChIKeySXTAUHYSQVQWGA-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.00
Rot. Bonds2

About 3-tert-butyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine

3-tert-butyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65275948) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 3-tert-butyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine
PubChem CID65275948
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name3-tert-butyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)c1nsc(NC2CCCNC2)n1
InChIInChI=1S/C11H20N4S/c1-11(2,3)9-14-10(16-15-9)13-8-5-4-6-12-7-8/h8,12H,4-7H2,1-3H3,(H,13,14,15)
InChIKeySXTAUHYSQVQWGA-UHFFFAOYSA-N
XLogP2.00
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1-N-methylcyclohexane-1,4-diamine
CID 79111015
N-piperidin-3-yl-3-propyl-1,2,4-thiadiazol-5-amine
CID 65275895
4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol
CID 65272477
3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 65270882
3-tert-butyl-N-(1-cyclopropylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine
CID 65276899
3-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine
CID 65275883
3-tert-butyl-N-[4-[(dimethylamino)methyl]cyclohexyl]-1,2,4-thiadiazol-5-amine
CID 133495070
N-[(3R)-piperidin-3-yl]-1,3-thiazol-2-amine
CID 71637319
3-tert-butyl-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine
CID 133494519
3-tert-butyl-N-(1,3-dimethylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 114504855
6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 115266503
N-piperidin-3-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 83839279

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine (CID 65275948) is 3-tert-butyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine is CC(C)(C)c1nsc(NC2CCCNC2)n1.
What is the InChIKey of 3-tert-butyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is SXTAUHYSQVQWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-11(2,3)9-14-10(16-15-9)13-8-5-4-6-12-7-8/h8,12H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 3-tert-butyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 240.38 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65275948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).