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

C7H10BrN3OS — CID 64624732

IUPAC2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclopropylamino]ethanol
SMILESOCCN(c1nnc(Br)s1)C1CC1
InChIInChI=1S/C7H10BrN3OS/c8-6-9-10-7(13-6)11(3-4-12)5-1-2-5/h5,12H,1-4H2
InChIKeyWMSKJJMANMCOBP-UHFFFAOYSA-N
MW264.15 g/mol
LogP1.26
Rot. Bonds4

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

2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclopropylamino]ethanol (PubChem CID 64624732) has the molecular formula C7H10BrN3OS and a molecular weight of 264.15 g/mol. Its IUPAC name is 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclopropylamino]ethanol.

Molecular Properties

Compound Name2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclopropylamino]ethanol
PubChem CID64624732
Molecular FormulaC7H10BrN3OS
Molecular Weight264.15 g/mol
Exact Mass262.97
IUPAC Name2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclopropylamino]ethanol
SMILESOCCN(c1nnc(Br)s1)C1CC1
InChIInChI=1S/C7H10BrN3OS/c8-6-9-10-7(13-6)11(3-4-12)5-1-2-5/h5,12H,1-4H2
InChIKeyWMSKJJMANMCOBP-UHFFFAOYSA-N
XLogP1.26
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclobutylamino]ethanol
CID 102675319
5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine
CID 64622875
2-[cyclobutyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
CID 102675228
2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]ethanol
CID 79400025
5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64622852
2-[(6-amino-1,3-benzothiazol-2-yl)-cyclopropylamino]ethanol
CID 63231382
2-[cyclopropyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305662
2-[(5-bromo-3-pyridinyl)-cyclopropylamino]ethanol
CID 104531645
2-[(2-amino-5-bromopyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80811319
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-[cyclopropyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetic acid
CID 114449317

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclopropylamino]ethanol?
The IUPAC name of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclopropylamino]ethanol (CID 64624732) is 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclopropylamino]ethanol.
What is the SMILES notation for 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclopropylamino]ethanol?
The canonical SMILES for 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclopropylamino]ethanol is OCCN(c1nnc(Br)s1)C1CC1.
What is the InChIKey of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclopropylamino]ethanol?
The InChIKey is WMSKJJMANMCOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3OS/c8-6-9-10-7(13-6)11(3-4-12)5-1-2-5/h5,12H,1-4H2.
What are the key properties of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclopropylamino]ethanol?
2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclopropylamino]ethanol has a molecular weight of 264.15 g/mol, XLogP of 1.26, 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)-cyclopropylamino]ethanol is sourced from PubChem (CID 64624732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).