N-(4-methylpentan-2-yl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine

C20H29N3S — CID 46983691

IUPACN-(4-methylpentan-2-yl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine
SMILESCC(C)CC(C)NC1CCN(c2cccc(-c3cscn3)c2)CC1
InChIInChI=1S/C20H29N3S/c1-15(2)11-16(3)22-18-7-9-23(10-8-18)19-6-4-5-17(12-19)20-13-24-14-21-20/h4-6,12-16,18,22H,7-11H2,1-3H3
InChIKeyCZELXJPYYNCSFR-UHFFFAOYSA-N
MW343.54 g/mol
LogP4.80
Rot. Bonds6

About N-(4-methylpentan-2-yl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine

N-(4-methylpentan-2-yl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine (PubChem CID 46983691) has the molecular formula C20H29N3S and a molecular weight of 343.54 g/mol. Its IUPAC name is N-(4-methylpentan-2-yl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(4-methylpentan-2-yl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine
PubChem CID46983691
Molecular FormulaC20H29N3S
Molecular Weight343.54 g/mol
Exact Mass343.21
IUPAC NameN-(4-methylpentan-2-yl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine
SMILESCC(C)CC(C)NC1CCN(c2cccc(-c3cscn3)c2)CC1
InChIInChI=1S/C20H29N3S/c1-15(2)11-16(3)22-18-7-9-23(10-8-18)19-6-4-5-17(12-19)20-13-24-14-21-20/h4-6,12-16,18,22H,7-11H2,1-3H3
InChIKeyCZELXJPYYNCSFR-UHFFFAOYSA-N
XLogP4.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentan-2-yl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine?
The IUPAC name of N-(4-methylpentan-2-yl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine (CID 46983691) is N-(4-methylpentan-2-yl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine.
What is the SMILES notation for N-(4-methylpentan-2-yl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine?
The canonical SMILES for N-(4-methylpentan-2-yl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine is CC(C)CC(C)NC1CCN(c2cccc(-c3cscn3)c2)CC1.
What is the InChIKey of N-(4-methylpentan-2-yl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine?
The InChIKey is CZELXJPYYNCSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3S/c1-15(2)11-16(3)22-18-7-9-23(10-8-18)19-6-4-5-17(12-19)20-13-24-14-21-20/h4-6,12-16,18,22H,7-11H2,1-3H3.
What are the key properties of N-(4-methylpentan-2-yl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine?
N-(4-methylpentan-2-yl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine has a molecular weight of 343.54 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentan-2-yl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine is sourced from PubChem (CID 46983691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).