1-[2-(1-ethylpiperidin-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine

C13H23N3S — CID 115090687

IUPAC1-[2-(1-ethylpiperidin-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCCN1CCCCC1c1ncc(C(C)NC)s1
InChIInChI=1S/C13H23N3S/c1-4-16-8-6-5-7-11(16)13-15-9-12(17-13)10(2)14-3/h9-11,14H,4-8H2,1-3H3
InChIKeyDNFQPBWSNUAANR-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.97
Rot. Bonds4

About 1-[2-(1-ethylpiperidin-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine

1-[2-(1-ethylpiperidin-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 115090687) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-[2-(1-ethylpiperidin-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(1-ethylpiperidin-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID115090687
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name1-[2-(1-ethylpiperidin-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCCN1CCCCC1c1ncc(C(C)NC)s1
InChIInChI=1S/C13H23N3S/c1-4-16-8-6-5-7-11(16)13-15-9-12(17-13)10(2)14-3/h9-11,14H,4-8H2,1-3H3
InChIKeyDNFQPBWSNUAANR-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cycloheptyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 65399762
N-methyl-1-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 115089955
1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 65391518
N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanamine
CID 62752084
1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazol-5-yl]ethanol
CID 115090612
1-[2-(3-ethyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 115388350
N-cyclohexyl-N-ethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62750040
2-[(2R)-1-(2-methylpropyl)piperidin-2-yl]-1,3-thiazole-5-carboxamide
CID 125024082
1-[2-(1,1-dioxothian-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 115089949
N-methyl-1-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 62754570
2-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 115090518
1-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 84766702

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylpiperidin-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(1-ethylpiperidin-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine (CID 115090687) is 1-[2-(1-ethylpiperidin-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(1-ethylpiperidin-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(1-ethylpiperidin-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine is CCN1CCCCC1c1ncc(C(C)NC)s1.
What is the InChIKey of 1-[2-(1-ethylpiperidin-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is DNFQPBWSNUAANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-4-16-8-6-5-7-11(16)13-15-9-12(17-13)10(2)14-3/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 1-[2-(1-ethylpiperidin-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-(1-ethylpiperidin-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 253.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylpiperidin-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 115090687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).