[2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-5-yl]methanamine

C15H22N4S — CID 59588801

IUPAC[2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-5-yl]methanamine
SMILESCC(C)N1CCN(c2nc3cc(CN)ccc3s2)CC1
InChIInChI=1S/C15H22N4S/c1-11(2)18-5-7-19(8-6-18)15-17-13-9-12(10-16)3-4-14(13)20-15/h3-4,9,11H,5-8,10,16H2,1-2H3
InChIKeySXXGBVAQGLIBPD-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.29
Rot. Bonds3

About [2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-5-yl]methanamine

[2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-5-yl]methanamine (PubChem CID 59588801) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is [2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-5-yl]methanamine
PubChem CID59588801
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name[2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-5-yl]methanamine
SMILESCC(C)N1CCN(c2nc3cc(CN)ccc3s2)CC1
InChIInChI=1S/C15H22N4S/c1-11(2)18-5-7-19(8-6-18)15-17-13-9-12(10-16)3-4-14(13)20-15/h3-4,9,11H,5-8,10,16H2,1-2H3
InChIKeySXXGBVAQGLIBPD-UHFFFAOYSA-N
XLogP2.29
TPSA45.39 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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-5-yl]methanamine?
The IUPAC name of [2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-5-yl]methanamine (CID 59588801) is [2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-5-yl]methanamine.
What is the SMILES notation for [2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-5-yl]methanamine?
The canonical SMILES for [2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-5-yl]methanamine is CC(C)N1CCN(c2nc3cc(CN)ccc3s2)CC1.
What is the InChIKey of [2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-5-yl]methanamine?
The InChIKey is SXXGBVAQGLIBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-11(2)18-5-7-19(8-6-18)15-17-13-9-12(10-16)3-4-14(13)20-15/h3-4,9,11H,5-8,10,16H2,1-2H3.
What are the key properties of [2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-5-yl]methanamine?
[2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-5-yl]methanamine has a molecular weight of 290.44 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-5-yl]methanamine is sourced from PubChem (CID 59588801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).