N-ethyl-2,3-dimethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-amine

C14H25N3S — CID 79407315

IUPACN-ethyl-2,3-dimethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-amine
SMILESCCNC1CCN(C(C)c2nccs2)C(C)C1C
InChIInChI=1S/C14H25N3S/c1-5-15-13-6-8-17(11(3)10(13)2)12(4)14-16-7-9-18-14/h7,9-13,15H,5-6,8H2,1-4H3
InChIKeyBMQRAZLTNCKHOQ-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.91
Rot. Bonds4

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

N-ethyl-2,3-dimethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-amine (PubChem CID 79407315) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-ethyl-2,3-dimethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2,3-dimethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-amine
PubChem CID79407315
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-ethyl-2,3-dimethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-amine
SMILESCCNC1CCN(C(C)c2nccs2)C(C)C1C
InChIInChI=1S/C14H25N3S/c1-5-15-13-6-8-17(11(3)10(13)2)12(4)14-16-7-9-18-14/h7,9-13,15H,5-6,8H2,1-4H3
InChIKeyBMQRAZLTNCKHOQ-UHFFFAOYSA-N
XLogP2.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-dimethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-amine?
The IUPAC name of N-ethyl-2,3-dimethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-amine (CID 79407315) is N-ethyl-2,3-dimethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for N-ethyl-2,3-dimethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-amine?
The canonical SMILES for N-ethyl-2,3-dimethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-amine is CCNC1CCN(C(C)c2nccs2)C(C)C1C.
What is the InChIKey of N-ethyl-2,3-dimethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-amine?
The InChIKey is BMQRAZLTNCKHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-5-15-13-6-8-17(11(3)10(13)2)12(4)14-16-7-9-18-14/h7,9-13,15H,5-6,8H2,1-4H3.
What are the key properties of N-ethyl-2,3-dimethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-amine?
N-ethyl-2,3-dimethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-amine has a molecular weight of 267.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-dimethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 79407315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).