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

C8H9BrN4S2 — CID 164658597

IUPAC4-bromo-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1nnc(CN(C)c2nc(Br)cs2)s1
InChIInChI=1S/C8H9BrN4S2/c1-5-11-12-7(15-5)3-13(2)8-10-6(9)4-14-8/h4H,3H2,1-2H3
InChIKeySPROVMXAAFBCMA-UHFFFAOYSA-N
MW305.23 g/mol
LogP2.70
Rot. Bonds3

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

4-bromo-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 164658597) has the molecular formula C8H9BrN4S2 and a molecular weight of 305.23 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazol-2-amine
PubChem CID164658597
Molecular FormulaC8H9BrN4S2
Molecular Weight305.23 g/mol
Exact Mass303.95
IUPAC Name4-bromo-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1nnc(CN(C)c2nc(Br)cs2)s1
InChIInChI=1S/C8H9BrN4S2/c1-5-11-12-7(15-5)3-13(2)8-10-6(9)4-14-8/h4H,3H2,1-2H3
InChIKeySPROVMXAAFBCMA-UHFFFAOYSA-N
XLogP2.70
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.23
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazol-2-amine (CID 164658597) is 4-bromo-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazol-2-amine is Cc1nnc(CN(C)c2nc(Br)cs2)s1.
What is the InChIKey of 4-bromo-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is SPROVMXAAFBCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4S2/c1-5-11-12-7(15-5)3-13(2)8-10-6(9)4-14-8/h4H,3H2,1-2H3.
What are the key properties of 4-bromo-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazol-2-amine?
4-bromo-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 305.23 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 164658597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).