5-[(3-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine

C10H10BrN3OS — CID 82832131

IUPAC5-[(3-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(COCc2cccc(Br)c2)s1
InChIInChI=1S/C10H10BrN3OS/c11-8-3-1-2-7(4-8)5-15-6-9-13-14-10(12)16-9/h1-4H,5-6H2,(H2,12,14)
InChIKeyYLCOXPDKTJSOOF-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.60
Rot. Bonds4

About 5-[(3-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine

5-[(3-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 82832131) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is 5-[(3-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(3-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine
PubChem CID82832131
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC Name5-[(3-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(COCc2cccc(Br)c2)s1
InChIInChI=1S/C10H10BrN3OS/c11-8-3-1-2-7(4-8)5-15-6-9-13-14-10(12)16-9/h1-4H,5-6H2,(H2,12,14)
InChIKeyYLCOXPDKTJSOOF-UHFFFAOYSA-N
XLogP2.60
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-methoxyphenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine
CID 80608923
[3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine
CID 82827520
5-[(5-bromo-2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 114676642
1-bromo-3-[(4-chlorophenyl)methoxymethyl]benzene
CID 65125960
2-chloro-5-[(3-chlorophenyl)methoxymethyl]-1,3,4-thiadiazole
CID 80607272
[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine
CID 82831486
5-[(6-bromonaphthalen-2-yl)oxymethyl]-1,3,4-thiadiazol-2-amine
CID 80608673
2-[(3-bromophenyl)methoxy]ethanethioamide
CID 82827061
3-[(3-bromophenyl)methoxymethyl]-2-fluoroaniline
CID 107348000
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-(3-bromophenyl)acetamide
CID 79512689
4-[(3-bromophenyl)methoxymethyl]-N-methylthiadiazol-5-amine
CID 82832358
1-bromo-3-(propoxymethyl)benzene
CID 57057286

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(3-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine (CID 82832131) is 5-[(3-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(3-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(3-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(COCc2cccc(Br)c2)s1.
What is the InChIKey of 5-[(3-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is YLCOXPDKTJSOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c11-8-3-1-2-7(4-8)5-15-6-9-13-14-10(12)16-9/h1-4H,5-6H2,(H2,12,14).
What are the key properties of 5-[(3-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine?
5-[(3-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 300.18 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82832131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).