1-[5-(2-bromophenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine

C10H10BrN3OS — CID 80623405

IUPAC1-[5-(2-bromophenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(Oc2ccccc2Br)s1
InChIInChI=1S/C10H10BrN3OS/c1-12-6-9-13-14-10(16-9)15-8-5-3-2-4-7(8)11/h2-5,12H,6H2,1H3
InChIKeyUAUXNTPIGDUQBI-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.81
Rot. Bonds4

About 1-[5-(2-bromophenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine

1-[5-(2-bromophenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine (PubChem CID 80623405) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is 1-[5-(2-bromophenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2-bromophenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
PubChem CID80623405
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC Name1-[5-(2-bromophenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(Oc2ccccc2Br)s1
InChIInChI=1S/C10H10BrN3OS/c1-12-6-9-13-14-10(16-9)15-8-5-3-2-4-7(8)11/h2-5,12H,6H2,1H3
InChIKeyUAUXNTPIGDUQBI-UHFFFAOYSA-N
XLogP2.81
TPSA47.04 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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(3-chloro-2-fluorophenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 116690116
1-[5-(4-methoxyphenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 80620937
1-[5-(3-fluorophenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 80620026
N-[[5-(2-methylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 80620017
N-[[5-(2-bromo-4-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 80620748
N-[[5-[2-(trifluoromethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80623780
N-[[5-(2-ethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 80620035
1-[5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 80623309
5-(2-bromophenoxy)-3-propyl-1,2,4-thiadiazole
CID 65272228
N-[[5-(2,3-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80624122
1-[6-(2-bromophenoxy)pyrazin-2-yl]-N-methylmethanamine
CID 66450805
1-[1-(2-bromophenoxy)isoquinolin-3-yl]-N-methylmethanamine
CID 62297220

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromophenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2-bromophenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine (CID 80623405) is 1-[5-(2-bromophenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2-bromophenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2-bromophenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine is CNCc1nnc(Oc2ccccc2Br)s1.
What is the InChIKey of 1-[5-(2-bromophenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine?
The InChIKey is UAUXNTPIGDUQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c1-12-6-9-13-14-10(16-9)15-8-5-3-2-4-7(8)11/h2-5,12H,6H2,1H3.
What are the key properties of 1-[5-(2-bromophenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine?
1-[5-(2-bromophenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine has a molecular weight of 300.18 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromophenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 80623405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).