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

C7H11N3OS — CID 163638061

IUPAC(1S)-1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethanol
SMILESC[C@H](O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C7H11N3OS/c1-4(11)8-7-10-9-6(12-7)5-2-3-5/h4-5,11H,2-3H2,1H3,(H,8,10)/t4-/m0/s1
InChIKeyIBXCSWBDQATPAW-BYPYZUCNSA-N
MW185.25 g/mol
LogP1.17
Rot. Bonds3

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

(1S)-1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethanol (PubChem CID 163638061) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is (1S)-1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethanol.

Molecular Properties

Compound Name(1S)-1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethanol
PubChem CID163638061
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name(1S)-1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethanol
SMILESC[C@H](O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C7H11N3OS/c1-4(11)8-7-10-9-6(12-7)5-2-3-5/h4-5,11H,2-3H2,1H3,(H,8,10)/t4-/m0/s1
InChIKeyIBXCSWBDQATPAW-BYPYZUCNSA-N
XLogP1.17
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethanol?
The IUPAC name of (1S)-1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethanol (CID 163638061) is (1S)-1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethanol.
What is the SMILES notation for (1S)-1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethanol?
The canonical SMILES for (1S)-1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethanol is C[C@H](O)Nc1nnc(C2CC2)s1.
What is the InChIKey of (1S)-1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethanol?
The InChIKey is IBXCSWBDQATPAW-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-4(11)8-7-10-9-6(12-7)5-2-3-5/h4-5,11H,2-3H2,1H3,(H,8,10)/t4-/m0/s1.
What are the key properties of (1S)-1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethanol?
(1S)-1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethanol has a molecular weight of 185.25 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethanol is sourced from PubChem (CID 163638061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).