(3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-ethylpiperidin-3-amine

C14H25N3S — CID 95135079

IUPAC(3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-ethylpiperidin-3-amine
SMILESCCN1CCC[C@H](NCCc2nc(C)c(C)s2)C1
InChIInChI=1S/C14H25N3S/c1-4-17-9-5-6-13(10-17)15-8-7-14-16-11(2)12(3)18-14/h13,15H,4-10H2,1-3H3/t13-/m0/s1
InChIKeyWARMHSFAFOPFLV-ZDUSSCGKSA-N
MW267.44 g/mol
LogP2.38
Rot. Bonds5

About (3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-ethylpiperidin-3-amine

(3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-ethylpiperidin-3-amine (PubChem CID 95135079) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is (3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-ethylpiperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-ethylpiperidin-3-amine
PubChem CID95135079
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name(3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-ethylpiperidin-3-amine
SMILESCCN1CCC[C@H](NCCc2nc(C)c(C)s2)C1
InChIInChI=1S/C14H25N3S/c1-4-17-9-5-6-13(10-17)15-8-7-14-16-11(2)12(3)18-14/h13,15H,4-10H2,1-3H3/t13-/m0/s1
InChIKeyWARMHSFAFOPFLV-ZDUSSCGKSA-N
XLogP2.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-ethylpiperidin-3-amine?
The IUPAC name of (3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-ethylpiperidin-3-amine (CID 95135079) is (3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-ethylpiperidin-3-amine.
What is the SMILES notation for (3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-ethylpiperidin-3-amine?
The canonical SMILES for (3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-ethylpiperidin-3-amine is CCN1CCC[C@H](NCCc2nc(C)c(C)s2)C1.
What is the InChIKey of (3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-ethylpiperidin-3-amine?
The InChIKey is WARMHSFAFOPFLV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H25N3S/c1-4-17-9-5-6-13(10-17)15-8-7-14-16-11(2)12(3)18-14/h13,15H,4-10H2,1-3H3/t13-/m0/s1.
What are the key properties of (3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-ethylpiperidin-3-amine?
(3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-ethylpiperidin-3-amine has a molecular weight of 267.44 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-ethylpiperidin-3-amine is sourced from PubChem (CID 95135079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).