N,N,N'-trimethyl-N'-[1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-yl]propane-1,3-diamine

C20H30N4S — CID 46982944

IUPACN,N,N'-trimethyl-N'-[1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-yl]propane-1,3-diamine
SMILESCN(C)CCCN(C)C1CCN(c2cccc(-c3cscn3)c2)CC1
InChIInChI=1S/C20H30N4S/c1-22(2)10-5-11-23(3)18-8-12-24(13-9-18)19-7-4-6-17(14-19)20-15-25-16-21-20/h4,6-7,14-16,18H,5,8-13H2,1-3H3
InChIKeySFOZVHVKTYPLBL-UHFFFAOYSA-N
MW358.56 g/mol
LogP3.66
Rot. Bonds7

About N,N,N'-trimethyl-N'-[1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-yl]propane-1,3-diamine

N,N,N'-trimethyl-N'-[1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-yl]propane-1,3-diamine (PubChem CID 46982944) has the molecular formula C20H30N4S and a molecular weight of 358.56 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-yl]propane-1,3-diamine
PubChem CID46982944
Molecular FormulaC20H30N4S
Molecular Weight358.56 g/mol
Exact Mass358.22
IUPAC NameN,N,N'-trimethyl-N'-[1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-yl]propane-1,3-diamine
SMILESCN(C)CCCN(C)C1CCN(c2cccc(-c3cscn3)c2)CC1
InChIInChI=1S/C20H30N4S/c1-22(2)10-5-11-23(3)18-8-12-24(13-9-18)19-7-4-6-17(14-19)20-15-25-16-21-20/h4,6-7,14-16,18H,5,8-13H2,1-3H3
InChIKeySFOZVHVKTYPLBL-UHFFFAOYSA-N
XLogP3.66
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.56
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-yl]propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-yl]propane-1,3-diamine (CID 46982944) is N,N,N'-trimethyl-N'-[1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-yl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-yl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-yl]propane-1,3-diamine is CN(C)CCCN(C)C1CCN(c2cccc(-c3cscn3)c2)CC1.
What is the InChIKey of N,N,N'-trimethyl-N'-[1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-yl]propane-1,3-diamine?
The InChIKey is SFOZVHVKTYPLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4S/c1-22(2)10-5-11-23(3)18-8-12-24(13-9-18)19-7-4-6-17(14-19)20-15-25-16-21-20/h4,6-7,14-16,18H,5,8-13H2,1-3H3.
What are the key properties of N,N,N'-trimethyl-N'-[1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-yl]propane-1,3-diamine?
N,N,N'-trimethyl-N'-[1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-yl]propane-1,3-diamine has a molecular weight of 358.56 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-yl]propane-1,3-diamine is sourced from PubChem (CID 46982944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).