[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-3-yl]methanamine

C12H20N4S — CID 114961737

IUPAC[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(c2nc(C3CC3)ns2)CC1CN
InChIInChI=1S/C12H20N4S/c1-8-4-5-16(7-10(8)6-13)12-14-11(15-17-12)9-2-3-9/h8-10H,2-7,13H2,1H3
InChIKeyOADPBXAODQKYJE-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.84
Rot. Bonds3

About [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-3-yl]methanamine

[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-3-yl]methanamine (PubChem CID 114961737) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-3-yl]methanamine
PubChem CID114961737
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(c2nc(C3CC3)ns2)CC1CN
InChIInChI=1S/C12H20N4S/c1-8-4-5-16(7-10(8)6-13)12-14-11(15-17-12)9-2-3-9/h8-10H,2-7,13H2,1H3
InChIKeyOADPBXAODQKYJE-UHFFFAOYSA-N
XLogP1.84
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-3-yl]methanamine (CID 114961737) is [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-3-yl]methanamine is CC1CCN(c2nc(C3CC3)ns2)CC1CN.
What is the InChIKey of [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-3-yl]methanamine?
The InChIKey is OADPBXAODQKYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-8-4-5-16(7-10(8)6-13)12-14-11(15-17-12)9-2-3-9/h8-10H,2-7,13H2,1H3.
What are the key properties of [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-3-yl]methanamine?
[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-3-yl]methanamine has a molecular weight of 252.39 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-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114961737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).