1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N-methylmethanamine

C10H16BrN3S — CID 79398681

IUPAC1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2nc(Br)cs2)CC1
InChIInChI=1S/C10H16BrN3S/c1-12-6-8-2-4-14(5-3-8)10-13-9(11)7-15-10/h7-8,12H,2-6H2,1H3
InChIKeyWHAOCTMJQUENOX-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.34
Rot. Bonds3

About 1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N-methylmethanamine

1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N-methylmethanamine (PubChem CID 79398681) has the molecular formula C10H16BrN3S and a molecular weight of 290.23 g/mol. Its IUPAC name is 1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N-methylmethanamine
PubChem CID79398681
Molecular FormulaC10H16BrN3S
Molecular Weight290.23 g/mol
Exact Mass289.02
IUPAC Name1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2nc(Br)cs2)CC1
InChIInChI=1S/C10H16BrN3S/c1-12-6-8-2-4-14(5-3-8)10-13-9(11)7-15-10/h7-8,12H,2-6H2,1H3
InChIKeyWHAOCTMJQUENOX-UHFFFAOYSA-N
XLogP2.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 45787501
CID 45787501
CID 45787499
CID 45787499
CID 86681442
CID 86681442
CID 79399927
CID 79399927
CID 79400048
CID 79400048
CID 164651187
CID 164651187
CID 20143738
CID 20143738
CID 45787528
CID 45787528
CID 54577221
CID 54577221
CID 70578274
CID 70578274
CID 87406147
CID 87406147
CID 89813337
CID 89813337

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N-methylmethanamine (CID 79398681) is 1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N-methylmethanamine is CNCC1CCN(c2nc(Br)cs2)CC1.
What is the InChIKey of 1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N-methylmethanamine?
The InChIKey is WHAOCTMJQUENOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3S/c1-12-6-8-2-4-14(5-3-8)10-13-9(11)7-15-10/h7-8,12H,2-6H2,1H3.
What are the key properties of 1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N-methylmethanamine?
1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N-methylmethanamine has a molecular weight of 290.23 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 79398681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).