[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine

C11H20N4S — CID 65272653

IUPAC[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine
SMILESCC(C)c1nsc(N2CCC(CN)CC2)n1
InChIInChI=1S/C11H20N4S/c1-8(2)10-13-11(16-14-10)15-5-3-9(7-12)4-6-15/h8-9H,3-7,12H2,1-2H3
InChIKeyXVASQXXFCCGHPE-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.84
Rot. Bonds3

About [1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine

[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine (PubChem CID 65272653) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is [1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine
PubChem CID65272653
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine
SMILESCC(C)c1nsc(N2CCC(CN)CC2)n1
InChIInChI=1S/C11H20N4S/c1-8(2)10-13-11(16-14-10)15-5-3-9(7-12)4-6-15/h8-9H,3-7,12H2,1-2H3
InChIKeyXVASQXXFCCGHPE-UHFFFAOYSA-N
XLogP1.84
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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

2-methoxy-N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]ethanamine
CID 65280695
1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanamine
CID 103976770
3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
CID 79867771
5-[4-(2-chloroethoxy)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 82701825
5-[3-(difluoromethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 166600619
4-(aminomethyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one
CID 168659187
1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 106673285
3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
CID 102776527
4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-oxazepane
CID 75376958
5-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 95785318
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

Frequently Asked Questions

What is the IUPAC name of [1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine (CID 65272653) is [1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine is CC(C)c1nsc(N2CCC(CN)CC2)n1.
What is the InChIKey of [1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine?
The InChIKey is XVASQXXFCCGHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-8(2)10-13-11(16-14-10)15-5-3-9(7-12)4-6-15/h8-9H,3-7,12H2,1-2H3.
What are the key properties of [1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine?
[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine has a molecular weight of 240.38 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 65272653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).