2-(4-ethyl-4-methylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

C17H29N3S — CID 63163137

IUPAC2-(4-ethyl-4-methylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCC1(C)CCN(c2nc3c(s2)C(N)CC(C)(C)C3)CC1
InChIInChI=1S/C17H29N3S/c1-5-17(4)6-8-20(9-7-17)15-19-13-11-16(2,3)10-12(18)14(13)21-15/h12H,5-11,18H2,1-4H3
InChIKeyCVMLRHWZDMGIMV-UHFFFAOYSA-N
MW307.51 g/mol
LogP4.13
Rot. Bonds2

About 2-(4-ethyl-4-methylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

2-(4-ethyl-4-methylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 63163137) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is 2-(4-ethyl-4-methylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(4-ethyl-4-methylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID63163137
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC Name2-(4-ethyl-4-methylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCC1(C)CCN(c2nc3c(s2)C(N)CC(C)(C)C3)CC1
InChIInChI=1S/C17H29N3S/c1-5-17(4)6-8-20(9-7-17)15-19-13-11-16(2,3)10-12(18)14(13)21-15/h12H,5-11,18H2,1-4H3
InChIKeyCVMLRHWZDMGIMV-UHFFFAOYSA-N
XLogP4.13
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethyl-4-methylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine with MolForge

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Related Compounds

2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62090954
N-ethyl-5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62749694
2-N,2-N-diethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
CID 62750828
2-(azepan-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62751071
2-(3-ethyl-1,4-dithian-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 115388342
2-(1-ethoxycyclopentyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 116774459
2-[(dimethylamino)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62089743
2-[4-(dimethylamino)piperidin-1-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62754525
5,5-dimethyl-2-morpholin-4-yl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62749868
2-(2-ethoxypropan-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 116727694
2-(2-methoxypropyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 113391638
5,5-dimethyl-2-phenyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62091138

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-4-methylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(4-ethyl-4-methylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 63163137) is 2-(4-ethyl-4-methylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(4-ethyl-4-methylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(4-ethyl-4-methylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CCC1(C)CCN(c2nc3c(s2)C(N)CC(C)(C)C3)CC1.
What is the InChIKey of 2-(4-ethyl-4-methylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is CVMLRHWZDMGIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-5-17(4)6-8-20(9-7-17)15-19-13-11-16(2,3)10-12(18)14(13)21-15/h12H,5-11,18H2,1-4H3.
What are the key properties of 2-(4-ethyl-4-methylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
2-(4-ethyl-4-methylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 307.51 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-4-methylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 63163137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).