1-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]cyclopentan-1-ol

C12H19N3OS — CID 115868714

IUPAC1-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1nc(C2CC2)ns1
InChIInChI=1S/C12H19N3OS/c1-15(8-12(16)6-2-3-7-12)11-13-10(14-17-11)9-4-5-9/h9,16H,2-8H2,1H3
InChIKeyMXAWMCRZLZOMQA-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.16
Rot. Bonds4

About 1-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]cyclopentan-1-ol

1-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]cyclopentan-1-ol (PubChem CID 115868714) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]cyclopentan-1-ol
PubChem CID115868714
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1nc(C2CC2)ns1
InChIInChI=1S/C12H19N3OS/c1-15(8-12(16)6-2-3-7-12)11-13-10(14-17-11)9-4-5-9/h9,16H,2-8H2,1H3
InChIKeyMXAWMCRZLZOMQA-UHFFFAOYSA-N
XLogP2.16
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.16
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)-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]cyclopentan-1-ol (CID 115868714) is 1-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]cyclopentan-1-ol is CN(CC1(O)CCCC1)c1nc(C2CC2)ns1.
What is the InChIKey of 1-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is MXAWMCRZLZOMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-15(8-12(16)6-2-3-7-12)11-13-10(14-17-11)9-4-5-9/h9,16H,2-8H2,1H3.
What are the key properties of 1-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]cyclopentan-1-ol?
1-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 253.37 g/mol, XLogP of 2.16, 4 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)-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 115868714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).