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

C10H10BrN3OS — CID 123928348

IUPAC2-bromo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethanol
SMILESOC(CBr)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C10H10BrN3OS/c11-6-8(15)12-10-14-13-9(16-10)7-4-2-1-3-5-7/h1-5,8,15H,6H2,(H,12,14)
InChIKeyDFJMRRRVFITMMX-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.33
Rot. Bonds4

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

2-bromo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethanol (PubChem CID 123928348) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is 2-bromo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-bromo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethanol
PubChem CID123928348
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC Name2-bromo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethanol
SMILESOC(CBr)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C10H10BrN3OS/c11-6-8(15)12-10-14-13-9(16-10)7-4-2-1-3-5-7/h1-5,8,15H,6H2,(H,12,14)
InChIKeyDFJMRRRVFITMMX-UHFFFAOYSA-N
XLogP2.33
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4-methyl-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
CID 122049091
2,5-diphenyl-1,3,4-thiadiazole;ethane
CID 91287482
ethane;2-methyl-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 165141037
(2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 1451460
N-[1-(4-chlorophenyl)ethyl]-5-phenyl-1,3,4-thiadiazol-2-amine
CID 112812660
5-phenyl-N-(2-phenylethyl)-1,3,4-thiadiazol-2-amine
CID 31535225
ethane;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole
CID 145125829
2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole
CID 122206222
3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 12669831
(2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7092310
3,5,5-trimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)hexanamide
CID 134157729
(2S)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 27991426

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethanol?
The IUPAC name of 2-bromo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethanol (CID 123928348) is 2-bromo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethanol.
What is the SMILES notation for 2-bromo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethanol?
The canonical SMILES for 2-bromo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethanol is OC(CBr)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of 2-bromo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethanol?
The InChIKey is DFJMRRRVFITMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c11-6-8(15)12-10-14-13-9(16-10)7-4-2-1-3-5-7/h1-5,8,15H,6H2,(H,12,14).
What are the key properties of 2-bromo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethanol?
2-bromo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethanol has a molecular weight of 300.18 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethanol is sourced from PubChem (CID 123928348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).