1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-5-yl]ethanol

C13H23N3OS — CID 55111893

IUPAC1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-5-yl]ethanol
SMILESCCN1CCC(N(C)c2ncc(C(C)O)s2)CC1
InChIInChI=1S/C13H23N3OS/c1-4-16-7-5-11(6-8-16)15(3)13-14-9-12(18-13)10(2)17/h9-11,17H,4-8H2,1-3H3
InChIKeyNPHBXTMXLQKMDF-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.12
Rot. Bonds4

About 1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-5-yl]ethanol

1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-5-yl]ethanol (PubChem CID 55111893) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-5-yl]ethanol
PubChem CID55111893
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-5-yl]ethanol
SMILESCCN1CCC(N(C)c2ncc(C(C)O)s2)CC1
InChIInChI=1S/C13H23N3OS/c1-4-16-7-5-11(6-8-16)15(3)13-14-9-12(18-13)10(2)17/h9-11,17H,4-8H2,1-3H3
InChIKeyNPHBXTMXLQKMDF-UHFFFAOYSA-N
XLogP2.12
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-5-yl]ethanol (CID 55111893) is 1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-5-yl]ethanol is CCN1CCC(N(C)c2ncc(C(C)O)s2)CC1.
What is the InChIKey of 1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-5-yl]ethanol?
The InChIKey is NPHBXTMXLQKMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-4-16-7-5-11(6-8-16)15(3)13-14-9-12(18-13)10(2)17/h9-11,17H,4-8H2,1-3H3.
What are the key properties of 1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-5-yl]ethanol?
1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-5-yl]ethanol has a molecular weight of 269.41 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 55111893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).