5-bromo-N-(2-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine

C10H10BrN3OS — CID 64623493

IUPAC5-bromo-N-(2-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCOc1ccccc1N(C)c1nnc(Br)s1
InChIInChI=1S/C10H10BrN3OS/c1-14(10-13-12-9(11)16-10)7-5-3-4-6-8(7)15-2/h3-6H,1-2H3
InChIKeyTTWGYCVVRZYMRZ-UHFFFAOYSA-N
MW300.18 g/mol
LogP3.08
Rot. Bonds3

About 5-bromo-N-(2-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine

5-bromo-N-(2-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 64623493) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is 5-bromo-N-(2-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID64623493
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC Name5-bromo-N-(2-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCOc1ccccc1N(C)c1nnc(Br)s1
InChIInChI=1S/C10H10BrN3OS/c1-14(10-13-12-9(11)16-10)7-5-3-4-6-8(7)15-2/h3-6H,1-2H3
InChIKeyTTWGYCVVRZYMRZ-UHFFFAOYSA-N
XLogP3.08
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-(2-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine (CID 64623493) is 5-bromo-N-(2-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(2-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-(2-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine is COc1ccccc1N(C)c1nnc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is TTWGYCVVRZYMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c1-14(10-13-12-9(11)16-10)7-5-3-4-6-8(7)15-2/h3-6H,1-2H3.
What are the key properties of 5-bromo-N-(2-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine?
5-bromo-N-(2-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 300.18 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64623493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).