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

C9H13BrN2S — CID 79399676

IUPAC4-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine
SMILESCC1CC1CN(C)c1nc(Br)cs1
InChIInChI=1S/C9H13BrN2S/c1-6-3-7(6)4-12(2)9-11-8(10)5-13-9/h5-7H,3-4H2,1-2H3
InChIKeyZQUDYHIVDFYZLH-UHFFFAOYSA-N
MW261.19 g/mol
LogP3.00
Rot. Bonds3

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

4-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine (PubChem CID 79399676) has the molecular formula C9H13BrN2S and a molecular weight of 261.19 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine
PubChem CID79399676
Molecular FormulaC9H13BrN2S
Molecular Weight261.19 g/mol
Exact Mass260.00
IUPAC Name4-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine
SMILESCC1CC1CN(C)c1nc(Br)cs1
InChIInChI=1S/C9H13BrN2S/c1-6-3-7(6)4-12(2)9-11-8(10)5-13-9/h5-7H,3-4H2,1-2H3
InChIKeyZQUDYHIVDFYZLH-UHFFFAOYSA-N
XLogP3.00
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine (CID 79399676) is 4-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine is CC1CC1CN(C)c1nc(Br)cs1.
What is the InChIKey of 4-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is ZQUDYHIVDFYZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2S/c1-6-3-7(6)4-12(2)9-11-8(10)5-13-9/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine?
4-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 261.19 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79399676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).