N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-1,3-benzothiazol-2-amine

C15H22N4S — CID 63898413

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2sc(NCC3CN(C)CCN3C)nc2c1
InChIInChI=1S/C15H22N4S/c1-11-4-5-14-13(8-11)17-15(20-14)16-9-12-10-18(2)6-7-19(12)3/h4-5,8,12H,6-7,9-10H2,1-3H3,(H,16,17)
InChIKeyKDWGXUNLLNKNHS-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.26
Rot. Bonds3

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

N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-1,3-benzothiazol-2-amine (PubChem CID 63898413) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-1,3-benzothiazol-2-amine
PubChem CID63898413
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2sc(NCC3CN(C)CCN3C)nc2c1
InChIInChI=1S/C15H22N4S/c1-11-4-5-14-13(8-11)17-15(20-14)16-9-12-10-18(2)6-7-19(12)3/h4-5,8,12H,6-7,9-10H2,1-3H3,(H,16,17)
InChIKeyKDWGXUNLLNKNHS-UHFFFAOYSA-N
XLogP2.26
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-1,3-benzothiazol-2-amine (CID 63898413) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-1,3-benzothiazol-2-amine is Cc1ccc2sc(NCC3CN(C)CCN3C)nc2c1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-1,3-benzothiazol-2-amine?
The InChIKey is KDWGXUNLLNKNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-11-4-5-14-13(8-11)17-15(20-14)16-9-12-10-18(2)6-7-19(12)3/h4-5,8,12H,6-7,9-10H2,1-3H3,(H,16,17).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-1,3-benzothiazol-2-amine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-1,3-benzothiazol-2-amine has a molecular weight of 290.44 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 63898413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).