2-(4-tert-butylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

C16H27N3S — CID 64977276

IUPAC2-(4-tert-butylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCC(C)(C)C1CCN(c2nc3c(s2)CCCC3N)CC1
InChIInChI=1S/C16H27N3S/c1-16(2,3)11-7-9-19(10-8-11)15-18-14-12(17)5-4-6-13(14)20-15/h11-12H,4-10,17H2,1-3H3
InChIKeyFUQYJEDTPUREHW-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.74
Rot. Bonds1

About 2-(4-tert-butylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

2-(4-tert-butylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 64977276) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID64977276
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC Name2-(4-tert-butylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCC(C)(C)C1CCN(c2nc3c(s2)CCCC3N)CC1
InChIInChI=1S/C16H27N3S/c1-16(2,3)11-7-9-19(10-8-11)15-18-14-12(17)5-4-6-13(14)20-15/h11-12H,4-10,17H2,1-3H3
InChIKeyFUQYJEDTPUREHW-UHFFFAOYSA-N
XLogP3.74
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 64977276) is 2-(4-tert-butylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is CC(C)(C)C1CCN(c2nc3c(s2)CCCC3N)CC1.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is FUQYJEDTPUREHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-16(2,3)11-7-9-19(10-8-11)15-18-14-12(17)5-4-6-13(14)20-15/h11-12H,4-10,17H2,1-3H3.
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
2-(4-tert-butylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 293.48 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 64977276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).