N-ethyl-2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine

C13H23N3S — CID 114127659

IUPACN-ethyl-2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
SMILESCCNC1CCN(Cc2ncc(C)s2)C(C)C1
InChIInChI=1S/C13H23N3S/c1-4-14-12-5-6-16(10(2)7-12)9-13-15-8-11(3)17-13/h8,10,12,14H,4-7,9H2,1-3H3
InChIKeyGSXDZNLEKKKJHN-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.41
Rot. Bonds4

About N-ethyl-2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine

N-ethyl-2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine (PubChem CID 114127659) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
PubChem CID114127659
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-ethyl-2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
SMILESCCNC1CCN(Cc2ncc(C)s2)C(C)C1
InChIInChI=1S/C13H23N3S/c1-4-14-12-5-6-16(10(2)7-12)9-13-15-8-11(3)17-13/h8,10,12,14H,4-7,9H2,1-3H3
InChIKeyGSXDZNLEKKKJHN-UHFFFAOYSA-N
XLogP2.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
The IUPAC name of N-ethyl-2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine (CID 114127659) is N-ethyl-2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for N-ethyl-2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine is CCNC1CCN(Cc2ncc(C)s2)C(C)C1.
What is the InChIKey of N-ethyl-2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
The InChIKey is GSXDZNLEKKKJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-4-14-12-5-6-16(10(2)7-12)9-13-15-8-11(3)17-13/h8,10,12,14H,4-7,9H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
N-ethyl-2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine has a molecular weight of 253.41 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 114127659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).