2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclobutylamino]ethanol

C8H12BrN3OS — CID 102675319

IUPAC2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclobutylamino]ethanol
SMILESOCCN(c1nnc(Br)s1)C1CCC1
InChIInChI=1S/C8H12BrN3OS/c9-7-10-11-8(14-7)12(4-5-13)6-2-1-3-6/h6,13H,1-5H2
InChIKeyXKDUULZUOUIHAM-UHFFFAOYSA-N
MW278.18 g/mol
LogP1.65
Rot. Bonds4

About 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclobutylamino]ethanol

2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclobutylamino]ethanol (PubChem CID 102675319) has the molecular formula C8H12BrN3OS and a molecular weight of 278.18 g/mol. Its IUPAC name is 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclobutylamino]ethanol
PubChem CID102675319
Molecular FormulaC8H12BrN3OS
Molecular Weight278.18 g/mol
Exact Mass276.99
IUPAC Name2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclobutylamino]ethanol
SMILESOCCN(c1nnc(Br)s1)C1CCC1
InChIInChI=1S/C8H12BrN3OS/c9-7-10-11-8(14-7)12(4-5-13)6-2-1-3-6/h6,13H,1-5H2
InChIKeyXKDUULZUOUIHAM-UHFFFAOYSA-N
XLogP1.65
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclopropylamino]ethanol
CID 64624732
2-[cyclobutyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
CID 102675228
5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine
CID 64622875
2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]ethanol
CID 79400025
2-[(4-chloro-1,3-thiazol-2-yl)-cyclobutylamino]ethanol
CID 102865906
2-[cyclobutyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 102675252
2-[(5-aminopyrimidin-2-yl)-cyclobutylamino]ethanol
CID 102859565
2-[(6-amino-1,3-benzothiazol-2-yl)-cyclohexylamino]ethanol
CID 63231458
2-[cyclopentyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65275448
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-cyclopentylamino]ethanol
CID 65275447
5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64622852
2-(4-amino-N-cyclobutylanilino)ethanol
CID 102859463

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclobutylamino]ethanol?
The IUPAC name of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclobutylamino]ethanol (CID 102675319) is 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclobutylamino]ethanol?
The canonical SMILES for 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclobutylamino]ethanol is OCCN(c1nnc(Br)s1)C1CCC1.
What is the InChIKey of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclobutylamino]ethanol?
The InChIKey is XKDUULZUOUIHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3OS/c9-7-10-11-8(14-7)12(4-5-13)6-2-1-3-6/h6,13H,1-5H2.
What are the key properties of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclobutylamino]ethanol?
2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclobutylamino]ethanol has a molecular weight of 278.18 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclobutylamino]ethanol is sourced from PubChem (CID 102675319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).