N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine

C11H18N2O2S — CID 104628589

IUPACN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
SMILESCC(NCCC1(C)OCCO1)c1cscn1
InChIInChI=1S/C11H18N2O2S/c1-9(10-7-16-8-13-10)12-4-3-11(2)14-5-6-15-11/h7-9,12H,3-6H2,1-2H3
InChIKeyGRSSZGLGJUYXIB-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.95
Rot. Bonds5

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

N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine (PubChem CID 104628589) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
PubChem CID104628589
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
SMILESCC(NCCC1(C)OCCO1)c1cscn1
InChIInChI=1S/C11H18N2O2S/c1-9(10-7-16-8-13-10)12-4-3-11(2)14-5-6-15-11/h7-9,12H,3-6H2,1-2H3
InChIKeyGRSSZGLGJUYXIB-UHFFFAOYSA-N
XLogP1.95
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 99701678
3-ethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 43670125
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43670225
3-(2-methoxyethoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 43670248
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 43670253
3-methoxy-N-[1-(1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 46784264
3-ethoxy-N-[1-(1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 46784265
3-ethoxy-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 60689847
3-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 60691053
3-(oxolan-2-ylmethoxy)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 60696943
3-(2-methoxyethoxy)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 60698076
N-(1,3-thiazol-4-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 61221543

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine (CID 104628589) is N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine is CC(NCCC1(C)OCCO1)c1cscn1.
What is the InChIKey of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is GRSSZGLGJUYXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-9(10-7-16-8-13-10)12-4-3-11(2)14-5-6-15-11/h7-9,12H,3-6H2,1-2H3.
What are the key properties of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine?
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 242.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 104628589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).