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

C8H12BrN3S — CID 64623887

IUPAC5-bromo-N-(1-cyclopropylethyl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCC(C1CC1)N(C)c1nnc(Br)s1
InChIInChI=1S/C8H12BrN3S/c1-5(6-3-4-6)12(2)8-11-10-7(9)13-8/h5-6H,3-4H2,1-2H3
InChIKeyBQVZWYSRIUJXOL-UHFFFAOYSA-N
MW262.18 g/mol
LogP2.54
Rot. Bonds3

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

5-bromo-N-(1-cyclopropylethyl)-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 64623887) has the molecular formula C8H12BrN3S and a molecular weight of 262.18 g/mol. Its IUPAC name is 5-bromo-N-(1-cyclopropylethyl)-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1-cyclopropylethyl)-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID64623887
Molecular FormulaC8H12BrN3S
Molecular Weight262.18 g/mol
Exact Mass260.99
IUPAC Name5-bromo-N-(1-cyclopropylethyl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCC(C1CC1)N(C)c1nnc(Br)s1
InChIInChI=1S/C8H12BrN3S/c1-5(6-3-4-6)12(2)8-11-10-7(9)13-8/h5-6H,3-4H2,1-2H3
InChIKeyBQVZWYSRIUJXOL-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyclopropylethyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-(1-cyclopropylethyl)-N-methyl-1,3,4-thiadiazol-2-amine (CID 64623887) is 5-bromo-N-(1-cyclopropylethyl)-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(1-cyclopropylethyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-(1-cyclopropylethyl)-N-methyl-1,3,4-thiadiazol-2-amine is CC(C1CC1)N(C)c1nnc(Br)s1.
What is the InChIKey of 5-bromo-N-(1-cyclopropylethyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is BQVZWYSRIUJXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3S/c1-5(6-3-4-6)12(2)8-11-10-7(9)13-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-bromo-N-(1-cyclopropylethyl)-N-methyl-1,3,4-thiadiazol-2-amine?
5-bromo-N-(1-cyclopropylethyl)-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 262.18 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-cyclopropylethyl)-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64623887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).