5-bromo-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine

C7H8BrN5OS — CID 165472111

IUPAC5-bromo-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine
SMILESCOc1cc(Cn2nc(N)nc2Br)sn1
InChIInChI=1S/C7H8BrN5OS/c1-14-5-2-4(15-12-5)3-13-6(8)10-7(9)11-13/h2H,3H2,1H3,(H2,9,11)
InChIKeyBGELERKECVNNBX-UHFFFAOYSA-N
MW290.15 g/mol
LogP1.14
Rot. Bonds3

About 5-bromo-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine

5-bromo-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine (PubChem CID 165472111) has the molecular formula C7H8BrN5OS and a molecular weight of 290.15 g/mol. Its IUPAC name is 5-bromo-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-bromo-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine
PubChem CID165472111
Molecular FormulaC7H8BrN5OS
Molecular Weight290.15 g/mol
Exact Mass288.96
IUPAC Name5-bromo-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine
SMILESCOc1cc(Cn2nc(N)nc2Br)sn1
InChIInChI=1S/C7H8BrN5OS/c1-14-5-2-4(15-12-5)3-13-6(8)10-7(9)11-13/h2H,3H2,1H3,(H2,9,11)
InChIKeyBGELERKECVNNBX-UHFFFAOYSA-N
XLogP1.14
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine?
The IUPAC name of 5-bromo-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine (CID 165472111) is 5-bromo-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-bromo-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 5-bromo-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine is COc1cc(Cn2nc(N)nc2Br)sn1.
What is the InChIKey of 5-bromo-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine?
The InChIKey is BGELERKECVNNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN5OS/c1-14-5-2-4(15-12-5)3-13-6(8)10-7(9)11-13/h2H,3H2,1H3,(H2,9,11).
What are the key properties of 5-bromo-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine?
5-bromo-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine has a molecular weight of 290.15 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 165472111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).