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

C11H18BrN3S — CID 79399549

IUPAC4-bromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCN1CCC(CN(C)c2nc(Br)cs2)CC1
InChIInChI=1S/C11H18BrN3S/c1-14-5-3-9(4-6-14)7-15(2)11-13-10(12)8-16-11/h8-9H,3-7H2,1-2H3
InChIKeyPEEFNCGWTMJYSA-UHFFFAOYSA-N
MW304.26 g/mol
LogP2.68
Rot. Bonds3

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

4-bromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 79399549) has the molecular formula C11H18BrN3S and a molecular weight of 304.26 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
PubChem CID79399549
Molecular FormulaC11H18BrN3S
Molecular Weight304.26 g/mol
Exact Mass303.04
IUPAC Name4-bromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCN1CCC(CN(C)c2nc(Br)cs2)CC1
InChIInChI=1S/C11H18BrN3S/c1-14-5-3-9(4-6-14)7-15(2)11-13-10(12)8-16-11/h8-9H,3-7H2,1-2H3
InChIKeyPEEFNCGWTMJYSA-UHFFFAOYSA-N
XLogP2.68
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine (CID 79399549) is 4-bromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine is CN1CCC(CN(C)c2nc(Br)cs2)CC1.
What is the InChIKey of 4-bromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is PEEFNCGWTMJYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3S/c1-14-5-3-9(4-6-14)7-15(2)11-13-10(12)8-16-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-bromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine?
4-bromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 304.26 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79399549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).