1-(1,3-thiazol-4-ylmethyl)-N-(2,2,5-trimethylhexan-3-yl)piperidin-4-amine

C18H33N3S — CID 75444299

IUPAC1-(1,3-thiazol-4-ylmethyl)-N-(2,2,5-trimethylhexan-3-yl)piperidin-4-amine
SMILESCC(C)CC(NC1CCN(Cc2cscn2)CC1)C(C)(C)C
InChIInChI=1S/C18H33N3S/c1-14(2)10-17(18(3,4)5)20-15-6-8-21(9-7-15)11-16-12-22-13-19-16/h12-15,17,20H,6-11H2,1-5H3
InChIKeyKRVLSTDMBIGIQJ-UHFFFAOYSA-N
MW323.55 g/mol
LogP4.16
Rot. Bonds6

About 1-(1,3-thiazol-4-ylmethyl)-N-(2,2,5-trimethylhexan-3-yl)piperidin-4-amine

1-(1,3-thiazol-4-ylmethyl)-N-(2,2,5-trimethylhexan-3-yl)piperidin-4-amine (PubChem CID 75444299) has the molecular formula C18H33N3S and a molecular weight of 323.55 g/mol. Its IUPAC name is 1-(1,3-thiazol-4-ylmethyl)-N-(2,2,5-trimethylhexan-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(1,3-thiazol-4-ylmethyl)-N-(2,2,5-trimethylhexan-3-yl)piperidin-4-amine
PubChem CID75444299
Molecular FormulaC18H33N3S
Molecular Weight323.55 g/mol
Exact Mass323.24
IUPAC Name1-(1,3-thiazol-4-ylmethyl)-N-(2,2,5-trimethylhexan-3-yl)piperidin-4-amine
SMILESCC(C)CC(NC1CCN(Cc2cscn2)CC1)C(C)(C)C
InChIInChI=1S/C18H33N3S/c1-14(2)10-17(18(3,4)5)20-15-6-8-21(9-7-15)11-16-12-22-13-19-16/h12-15,17,20H,6-11H2,1-5H3
InChIKeyKRVLSTDMBIGIQJ-UHFFFAOYSA-N
XLogP4.16
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.55
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-4-ylmethyl)-N-(2,2,5-trimethylhexan-3-yl)piperidin-4-amine?
The IUPAC name of 1-(1,3-thiazol-4-ylmethyl)-N-(2,2,5-trimethylhexan-3-yl)piperidin-4-amine (CID 75444299) is 1-(1,3-thiazol-4-ylmethyl)-N-(2,2,5-trimethylhexan-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-(1,3-thiazol-4-ylmethyl)-N-(2,2,5-trimethylhexan-3-yl)piperidin-4-amine?
The canonical SMILES for 1-(1,3-thiazol-4-ylmethyl)-N-(2,2,5-trimethylhexan-3-yl)piperidin-4-amine is CC(C)CC(NC1CCN(Cc2cscn2)CC1)C(C)(C)C.
What is the InChIKey of 1-(1,3-thiazol-4-ylmethyl)-N-(2,2,5-trimethylhexan-3-yl)piperidin-4-amine?
The InChIKey is KRVLSTDMBIGIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3S/c1-14(2)10-17(18(3,4)5)20-15-6-8-21(9-7-15)11-16-12-22-13-19-16/h12-15,17,20H,6-11H2,1-5H3.
What are the key properties of 1-(1,3-thiazol-4-ylmethyl)-N-(2,2,5-trimethylhexan-3-yl)piperidin-4-amine?
1-(1,3-thiazol-4-ylmethyl)-N-(2,2,5-trimethylhexan-3-yl)piperidin-4-amine has a molecular weight of 323.55 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-4-ylmethyl)-N-(2,2,5-trimethylhexan-3-yl)piperidin-4-amine is sourced from PubChem (CID 75444299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).