1-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]pentan-2-ol

C7H12BrN3OS — CID 115643874

IUPAC1-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]pentan-2-ol
SMILESCCCC(O)CNc1nnc(Br)s1
InChIInChI=1S/C7H12BrN3OS/c1-2-3-5(12)4-9-7-11-10-6(8)13-7/h5,12H,2-4H2,1H3,(H,9,11)
InChIKeyYMRHEZWHKJWNJJ-UHFFFAOYSA-N
MW266.16 g/mol
LogP1.87
Rot. Bonds5

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

1-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]pentan-2-ol (PubChem CID 115643874) has the molecular formula C7H12BrN3OS and a molecular weight of 266.16 g/mol. Its IUPAC name is 1-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name1-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]pentan-2-ol
PubChem CID115643874
Molecular FormulaC7H12BrN3OS
Molecular Weight266.16 g/mol
Exact Mass264.99
IUPAC Name1-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]pentan-2-ol
SMILESCCCC(O)CNc1nnc(Br)s1
InChIInChI=1S/C7H12BrN3OS/c1-2-3-5(12)4-9-7-11-10-6(8)13-7/h5,12H,2-4H2,1H3,(H,9,11)
InChIKeyYMRHEZWHKJWNJJ-UHFFFAOYSA-N
XLogP1.87
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.16
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol
CID 115691842
(2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol
CID 130619298
1-(1,3-benzothiazol-2-ylamino)pentan-2-ol
CID 115622903
5-bromo-N-(4-methylpentyl)-1,3,4-thiadiazol-2-amine
CID 64623077
5-bromo-N-butan-2-yl-1,3,4-thiadiazol-2-amine
CID 64623041
5-bromo-N-(7-methyloctyl)-1,3,4-thiadiazol-2-amine
CID 107817577
1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]pentan-2-ol
CID 114383247
2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylacetamide
CID 64624512
N-[2-(2-chloroethyl)pentyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 106117349
1-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]pentan-2-ol
CID 133342940
5-bromo-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 130763162
(2R)-3-[[5-(5-bromo-2-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]propane-1,2-diol
CID 99778666

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]pentan-2-ol?
The IUPAC name of 1-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]pentan-2-ol (CID 115643874) is 1-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]pentan-2-ol.
What is the SMILES notation for 1-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]pentan-2-ol?
The canonical SMILES for 1-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]pentan-2-ol is CCCC(O)CNc1nnc(Br)s1.
What is the InChIKey of 1-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]pentan-2-ol?
The InChIKey is YMRHEZWHKJWNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrN3OS/c1-2-3-5(12)4-9-7-11-10-6(8)13-7/h5,12H,2-4H2,1H3,(H,9,11).
What are the key properties of 1-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]pentan-2-ol?
1-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]pentan-2-ol has a molecular weight of 266.16 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]pentan-2-ol is sourced from PubChem (CID 115643874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).