2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol

C9H15N3OS — CID 65274712

IUPAC2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1nc(C2CC2)ns1
InChIInChI=1S/C9H15N3OS/c1-2-12(5-6-13)9-10-8(11-14-9)7-3-4-7/h7,13H,2-6H2,1H3
InChIKeyDVDPEMQTEJISQE-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.23
Rot. Bonds5

About 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol

2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol (PubChem CID 65274712) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol
PubChem CID65274712
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1nc(C2CC2)ns1
InChIInChI=1S/C9H15N3OS/c1-2-12(5-6-13)9-10-8(11-14-9)7-3-4-7/h7,13H,2-6H2,1H3
InChIKeyDVDPEMQTEJISQE-UHFFFAOYSA-N
XLogP1.23
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol (CID 65274712) is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol is CCN(CCO)c1nc(C2CC2)ns1.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol?
The InChIKey is DVDPEMQTEJISQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-2-12(5-6-13)9-10-8(11-14-9)7-3-4-7/h7,13H,2-6H2,1H3.
What are the key properties of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol?
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol has a molecular weight of 213.31 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol is sourced from PubChem (CID 65274712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).