N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]cyclopropanamine

C12H20N4S — CID 65272981

IUPACN-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]cyclopropanamine
SMILESCc1nsc(N2CCCCC2CNC2CC2)n1
InChIInChI=1S/C12H20N4S/c1-9-14-12(17-15-9)16-7-3-2-4-11(16)8-13-10-5-6-10/h10-11,13H,2-8H2,1H3
InChIKeyZFZSNXSSCPDMCD-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.96
Rot. Bonds4

About N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]cyclopropanamine

N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]cyclopropanamine (PubChem CID 65272981) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]cyclopropanamine
PubChem CID65272981
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC NameN-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]cyclopropanamine
SMILESCc1nsc(N2CCCCC2CNC2CC2)n1
InChIInChI=1S/C12H20N4S/c1-9-14-12(17-15-9)16-7-3-2-4-11(16)8-13-10-5-6-10/h10-11,13H,2-8H2,1H3
InChIKeyZFZSNXSSCPDMCD-UHFFFAOYSA-N
XLogP1.96
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]cyclopropanamine (CID 65272981) is N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]cyclopropanamine is Cc1nsc(N2CCCCC2CNC2CC2)n1.
What is the InChIKey of N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]cyclopropanamine?
The InChIKey is ZFZSNXSSCPDMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-9-14-12(17-15-9)16-7-3-2-4-11(16)8-13-10-5-6-10/h10-11,13H,2-8H2,1H3.
What are the key properties of N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]cyclopropanamine?
N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]cyclopropanamine has a molecular weight of 252.39 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65272981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).