3-tert-butyl-N-(1,3-dimethylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine

C13H24N4S — CID 114504855

IUPAC3-tert-butyl-N-(1,3-dimethylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
SMILESCC1CN(C)CCC1Nc1nc(C(C)(C)C)ns1
InChIInChI=1S/C13H24N4S/c1-9-8-17(5)7-6-10(9)14-12-15-11(16-18-12)13(2,3)4/h9-10H,6-8H2,1-5H3,(H,14,15,16)
InChIKeyOZOHGFJZJQGRRU-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.59
Rot. Bonds2

About 3-tert-butyl-N-(1,3-dimethylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine

3-tert-butyl-N-(1,3-dimethylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 114504855) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 3-tert-butyl-N-(1,3-dimethylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-(1,3-dimethylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
PubChem CID114504855
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name3-tert-butyl-N-(1,3-dimethylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
SMILESCC1CN(C)CCC1Nc1nc(C(C)(C)C)ns1
InChIInChI=1S/C13H24N4S/c1-9-8-17(5)7-6-10(9)14-12-15-11(16-18-12)13(2,3)4/h9-10H,6-8H2,1-5H3,(H,14,15,16)
InChIKeyOZOHGFJZJQGRRU-UHFFFAOYSA-N
XLogP2.59
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-dimethylpiperidin-4-yl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 115886007
5-bromo-N-(1,3-dimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
CID 114505705
3-tert-butyl-N-(1-cyclopropylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine
CID 65276899
4-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1-N-methylcyclohexane-1,4-diamine
CID 79111015
4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol
CID 65272477
3-tert-butyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine
CID 65275948
3-tert-butyl-N-[4-[(dimethylamino)methyl]cyclohexyl]-1,2,4-thiadiazol-5-amine
CID 133495070
3-cyclopropyl-N-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine
CID 65276548
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305198
3-tert-butyl-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 97052697
3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 65270882
2-cyclopropyl-N-(1,3-dimethylpiperidin-4-yl)-6-hydrazinylpyrimidin-4-amine
CID 114506697

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(1,3-dimethylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-(1,3-dimethylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine (CID 114504855) is 3-tert-butyl-N-(1,3-dimethylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-(1,3-dimethylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-(1,3-dimethylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine is CC1CN(C)CCC1Nc1nc(C(C)(C)C)ns1.
What is the InChIKey of 3-tert-butyl-N-(1,3-dimethylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is OZOHGFJZJQGRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-9-8-17(5)7-6-10(9)14-12-15-11(16-18-12)13(2,3)4/h9-10H,6-8H2,1-5H3,(H,14,15,16).
What are the key properties of 3-tert-butyl-N-(1,3-dimethylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-(1,3-dimethylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 268.43 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(1,3-dimethylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 114504855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).