6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,3-benzothiazol-2-amine

C15H22N4S — CID 114547126

IUPAC6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCC1CN(Cc2ccc3nc(N)sc3c2)CC(C)N1C
InChIInChI=1S/C15H22N4S/c1-10-7-19(8-11(2)18(10)3)9-12-4-5-13-14(6-12)20-15(16)17-13/h4-6,10-11H,7-9H2,1-3H3,(H2,16,17)
InChIKeyCBXMKXHZYKGVHJ-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.40
Rot. Bonds2

About 6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,3-benzothiazol-2-amine

6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 114547126) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,3-benzothiazol-2-amine
PubChem CID114547126
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCC1CN(Cc2ccc3nc(N)sc3c2)CC(C)N1C
InChIInChI=1S/C15H22N4S/c1-10-7-19(8-11(2)18(10)3)9-12-4-5-13-14(6-12)20-15(16)17-13/h4-6,10-11H,7-9H2,1-3H3,(H2,16,17)
InChIKeyCBXMKXHZYKGVHJ-UHFFFAOYSA-N
XLogP2.40
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,3-benzothiazol-2-amine (CID 114547126) is 6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,3-benzothiazol-2-amine is CC1CN(Cc2ccc3nc(N)sc3c2)CC(C)N1C.
What is the InChIKey of 6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is CBXMKXHZYKGVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-10-7-19(8-11(2)18(10)3)9-12-4-5-13-14(6-12)20-15(16)17-13/h4-6,10-11H,7-9H2,1-3H3,(H2,16,17).
What are the key properties of 6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,3-benzothiazol-2-amine?
6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 290.44 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 114547126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).