N-methyl-2-(4-propan-2-ylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

C16H27N3S — CID 103503605

IUPACN-methyl-2-(4-propan-2-ylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCNC1CCCc2sc(N3CCC(C(C)C)CC3)nc21
InChIInChI=1S/C16H27N3S/c1-11(2)12-7-9-19(10-8-12)16-18-15-13(17-3)5-4-6-14(15)20-16/h11-13,17H,4-10H2,1-3H3
InChIKeyLPNIYDODKJVSMZ-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.61
Rot. Bonds3

About N-methyl-2-(4-propan-2-ylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

N-methyl-2-(4-propan-2-ylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 103503605) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is N-methyl-2-(4-propan-2-ylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound NameN-methyl-2-(4-propan-2-ylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID103503605
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC NameN-methyl-2-(4-propan-2-ylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCNC1CCCc2sc(N3CCC(C(C)C)CC3)nc21
InChIInChI=1S/C16H27N3S/c1-11(2)12-7-9-19(10-8-12)16-18-15-13(17-3)5-4-6-14(15)20-16/h11-13,17H,4-10H2,1-3H3
InChIKeyLPNIYDODKJVSMZ-UHFFFAOYSA-N
XLogP3.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-propan-2-ylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of N-methyl-2-(4-propan-2-ylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 103503605) is N-methyl-2-(4-propan-2-ylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for N-methyl-2-(4-propan-2-ylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for N-methyl-2-(4-propan-2-ylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is CNC1CCCc2sc(N3CCC(C(C)C)CC3)nc21.
What is the InChIKey of N-methyl-2-(4-propan-2-ylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is LPNIYDODKJVSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-11(2)12-7-9-19(10-8-12)16-18-15-13(17-3)5-4-6-14(15)20-16/h11-13,17H,4-10H2,1-3H3.
What are the key properties of N-methyl-2-(4-propan-2-ylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
N-methyl-2-(4-propan-2-ylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 293.48 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-propan-2-ylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 103503605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).