2,2,6,6-tetramethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine

C17H25N3S2 — CID 75413341

IUPAC2,2,6,6-tetramethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
SMILESCC1(C)CC(NCc2csc(-c3ccsc3)n2)CC(C)(C)N1
InChIInChI=1S/C17H25N3S2/c1-16(2)7-13(8-17(3,4)20-16)18-9-14-11-22-15(19-14)12-5-6-21-10-12/h5-6,10-11,13,18,20H,7-9H2,1-4H3
InChIKeyCBHNLMXMZCDUFU-UHFFFAOYSA-N
MW335.54 g/mol
LogP4.27
Rot. Bonds4

About 2,2,6,6-tetramethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine

2,2,6,6-tetramethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine (PubChem CID 75413341) has the molecular formula C17H25N3S2 and a molecular weight of 335.54 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
PubChem CID75413341
Molecular FormulaC17H25N3S2
Molecular Weight335.54 g/mol
Exact Mass335.15
IUPAC Name2,2,6,6-tetramethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
SMILESCC1(C)CC(NCc2csc(-c3ccsc3)n2)CC(C)(C)N1
InChIInChI=1S/C17H25N3S2/c1-16(2)7-13(8-17(3,4)20-16)18-9-14-11-22-15(19-14)12-5-6-21-10-12/h5-6,10-11,13,18,20H,7-9H2,1-4H3
InChIKeyCBHNLMXMZCDUFU-UHFFFAOYSA-N
XLogP4.27
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.54
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 2,2,6,6-tetramethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine (CID 75413341) is 2,2,6,6-tetramethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 2,2,6,6-tetramethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 2,2,6,6-tetramethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine is CC1(C)CC(NCc2csc(-c3ccsc3)n2)CC(C)(C)N1.
What is the InChIKey of 2,2,6,6-tetramethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is CBHNLMXMZCDUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S2/c1-16(2)7-13(8-17(3,4)20-16)18-9-14-11-22-15(19-14)12-5-6-21-10-12/h5-6,10-11,13,18,20H,7-9H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine?
2,2,6,6-tetramethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 335.54 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 75413341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).