2-(2-ethylpiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

C17H29N3S — CID 62750247

IUPAC2-(2-ethylpiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCC1CCCCN1c1nc2c(s1)C(NC)CC(C)(C)C2
InChIInChI=1S/C17H29N3S/c1-5-12-8-6-7-9-20(12)16-19-14-11-17(2,3)10-13(18-4)15(14)21-16/h12-13,18H,5-11H2,1-4H3
InChIKeyWPFKSUGYNLRESG-UHFFFAOYSA-N
MW307.51 g/mol
LogP4.14
Rot. Bonds3

About 2-(2-ethylpiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

2-(2-ethylpiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 62750247) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID62750247
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC Name2-(2-ethylpiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCC1CCCCN1c1nc2c(s1)C(NC)CC(C)(C)C2
InChIInChI=1S/C17H29N3S/c1-5-12-8-6-7-9-20(12)16-19-14-11-17(2,3)10-13(18-4)15(14)21-16/h12-13,18H,5-11H2,1-4H3
InChIKeyWPFKSUGYNLRESG-UHFFFAOYSA-N
XLogP4.14
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 62750247) is 2-(2-ethylpiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CCC1CCCCN1c1nc2c(s1)C(NC)CC(C)(C)C2.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is WPFKSUGYNLRESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-5-12-8-6-7-9-20(12)16-19-14-11-17(2,3)10-13(18-4)15(14)21-16/h12-13,18H,5-11H2,1-4H3.
What are the key properties of 2-(2-ethylpiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
2-(2-ethylpiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 307.51 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62750247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).