5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine

C8H12BrN3S — CID 64623917

IUPAC5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCC1CC1CN(C)c1nnc(Br)s1
InChIInChI=1S/C8H12BrN3S/c1-5-3-6(5)4-12(2)8-11-10-7(9)13-8/h5-6H,3-4H2,1-2H3
InChIKeyOSMULIHHOJIZOZ-UHFFFAOYSA-N
MW262.18 g/mol
LogP2.39
Rot. Bonds3

About 5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine

5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 64623917) has the molecular formula C8H12BrN3S and a molecular weight of 262.18 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID64623917
Molecular FormulaC8H12BrN3S
Molecular Weight262.18 g/mol
Exact Mass260.99
IUPAC Name5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCC1CC1CN(C)c1nnc(Br)s1
InChIInChI=1S/C8H12BrN3S/c1-5-3-6(5)4-12(2)8-11-10-7(9)13-8/h5-6H,3-4H2,1-2H3
InChIKeyOSMULIHHOJIZOZ-UHFFFAOYSA-N
XLogP2.39
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine (CID 64623917) is 5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine is CC1CC1CN(C)c1nnc(Br)s1.
What is the InChIKey of 5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is OSMULIHHOJIZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3S/c1-5-3-6(5)4-12(2)8-11-10-7(9)13-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine?
5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 262.18 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64623917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).