N-ethyl-1-[2-(1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]ethanamine

C12H21N3OS — CID 62967962

IUPACN-ethyl-1-[2-(1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1cnc(N2CCCOCC2)s1
InChIInChI=1S/C12H21N3OS/c1-3-13-10(2)11-9-14-12(17-11)15-5-4-7-16-8-6-15/h9-10,13H,3-8H2,1-2H3
InChIKeyOAQBUBUDQXBABH-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.04
Rot. Bonds4

About N-ethyl-1-[2-(1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]ethanamine

N-ethyl-1-[2-(1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 62967962) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-ethyl-1-[2-(1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-(1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID62967962
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-ethyl-1-[2-(1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1cnc(N2CCCOCC2)s1
InChIInChI=1S/C12H21N3OS/c1-3-13-10(2)11-9-14-12(17-11)15-5-4-7-16-8-6-15/h9-10,13H,3-8H2,1-2H3
InChIKeyOAQBUBUDQXBABH-UHFFFAOYSA-N
XLogP2.04
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[2-(1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]ethanamine (CID 62967962) is N-ethyl-1-[2-(1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-(1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-(1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]ethanamine is CCNC(C)c1cnc(N2CCCOCC2)s1.
What is the InChIKey of N-ethyl-1-[2-(1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is OAQBUBUDQXBABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-3-13-10(2)11-9-14-12(17-11)15-5-4-7-16-8-6-15/h9-10,13H,3-8H2,1-2H3.
What are the key properties of N-ethyl-1-[2-(1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]ethanamine?
N-ethyl-1-[2-(1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 255.39 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 62967962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).