1-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]propan-2-ol

C6H10BrN3OS — CID 64622447

IUPAC1-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1nnc(Br)s1
InChIInChI=1S/C6H10BrN3OS/c1-4(11)3-10(2)6-9-8-5(7)12-6/h4,11H,3H2,1-2H3
InChIKeyOHYCNXKRZXORJY-UHFFFAOYSA-N
MW252.14 g/mol
LogP1.12
Rot. Bonds3

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

1-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]propan-2-ol (PubChem CID 64622447) has the molecular formula C6H10BrN3OS and a molecular weight of 252.14 g/mol. Its IUPAC name is 1-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]propan-2-ol
PubChem CID64622447
Molecular FormulaC6H10BrN3OS
Molecular Weight252.14 g/mol
Exact Mass250.97
IUPAC Name1-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1nnc(Br)s1
InChIInChI=1S/C6H10BrN3OS/c1-4(11)3-10(2)6-9-8-5(7)12-6/h4,11H,3H2,1-2H3
InChIKeyOHYCNXKRZXORJY-UHFFFAOYSA-N
XLogP1.12
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]propan-2-ol?
The IUPAC name of 1-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]propan-2-ol (CID 64622447) is 1-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]propan-2-ol?
The canonical SMILES for 1-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]propan-2-ol is CC(O)CN(C)c1nnc(Br)s1.
What is the InChIKey of 1-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]propan-2-ol?
The InChIKey is OHYCNXKRZXORJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrN3OS/c1-4(11)3-10(2)6-9-8-5(7)12-6/h4,11H,3H2,1-2H3.
What are the key properties of 1-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]propan-2-ol?
1-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]propan-2-ol has a molecular weight of 252.14 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 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)-methylamino]propan-2-ol is sourced from PubChem (CID 64622447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).