N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C9H19N3OS — CID 62844861

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNC1=NCCS1
InChIInChI=1S/C9H19N3OS/c1-12(6-7-13-2)5-3-10-9-11-4-8-14-9/h3-8H2,1-2H3,(H,10,11)
InChIKeyIFSOZYBGSDWMOZ-UHFFFAOYSA-N
MW217.34 g/mol
LogP0.26
Rot. Bonds6

About N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 62844861) has the molecular formula C9H19N3OS and a molecular weight of 217.34 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID62844861
Molecular FormulaC9H19N3OS
Molecular Weight217.34 g/mol
Exact Mass217.12
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNC1=NCCS1
InChIInChI=1S/C9H19N3OS/c1-12(6-7-13-2)5-3-10-9-11-4-8-14-9/h3-8H2,1-2H3,(H,10,11)
InChIKeyIFSOZYBGSDWMOZ-UHFFFAOYSA-N
XLogP0.26
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 62844861) is N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is COCCN(C)CCNC1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is IFSOZYBGSDWMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3OS/c1-12(6-7-13-2)5-3-10-9-11-4-8-14-9/h3-8H2,1-2H3,(H,10,11).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 217.34 g/mol, XLogP of 0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62844861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).