3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-amine

C11H20N4S — CID 79867771

IUPAC3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
SMILESCC(C)c1nsc(N2CCC(N)C(C)C2)n1
InChIInChI=1S/C11H20N4S/c1-7(2)10-13-11(16-14-10)15-5-4-9(12)8(3)6-15/h7-9H,4-6,12H2,1-3H3
InChIKeyRPVOFUHLGFUSIL-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.84
Rot. Bonds2

About 3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-amine

3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-amine (PubChem CID 79867771) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-amine.

Molecular Properties

Compound Name3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
PubChem CID79867771
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
SMILESCC(C)c1nsc(N2CCC(N)C(C)C2)n1
InChIInChI=1S/C11H20N4S/c1-7(2)10-13-11(16-14-10)15-5-4-9(12)8(3)6-15/h7-9H,4-6,12H2,1-3H3
InChIKeyRPVOFUHLGFUSIL-UHFFFAOYSA-N
XLogP1.84
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanamine
CID 103976770
5-[3-(difluoromethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 166600619
[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine
CID 65272653
1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 106673285
1-(4-chloro-1,3-thiazol-2-yl)-3-methylpiperidin-4-amine
CID 83155920
2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine
CID 172881079
3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
CID 102776527
2-methyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanamide
CID 133354661
5-[4-(2-chloroethoxy)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 82701825
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanone
CID 171992958
N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]propan-1-amine
CID 65279975
N-tert-butyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxamide
CID 166602184

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-amine?
The IUPAC name of 3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-amine (CID 79867771) is 3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-amine.
What is the SMILES notation for 3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-amine?
The canonical SMILES for 3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-amine is CC(C)c1nsc(N2CCC(N)C(C)C2)n1.
What is the InChIKey of 3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-amine?
The InChIKey is RPVOFUHLGFUSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-7(2)10-13-11(16-14-10)15-5-4-9(12)8(3)6-15/h7-9H,4-6,12H2,1-3H3.
What are the key properties of 3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-amine?
3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-amine has a molecular weight of 240.38 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-amine is sourced from PubChem (CID 79867771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).