N-(2-methoxyethyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine

C12H23N3OS — CID 63838966

IUPACN-(2-methoxyethyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine
SMILESCOCCNCCCN(C)Cc1scnc1C
InChIInChI=1S/C12H23N3OS/c1-11-12(17-10-14-11)9-15(2)7-4-5-13-6-8-16-3/h10,13H,4-9H2,1-3H3
InChIKeyZEYKWWHWKSOUIN-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.51
Rot. Bonds9

About N-(2-methoxyethyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine

N-(2-methoxyethyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine (PubChem CID 63838966) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine
PubChem CID63838966
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC NameN-(2-methoxyethyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine
SMILESCOCCNCCCN(C)Cc1scnc1C
InChIInChI=1S/C12H23N3OS/c1-11-12(17-10-14-11)9-15(2)7-4-5-13-6-8-16-3/h10,13H,4-9H2,1-3H3
InChIKeyZEYKWWHWKSOUIN-UHFFFAOYSA-N
XLogP1.51
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine?
The IUPAC name of N-(2-methoxyethyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine (CID 63838966) is N-(2-methoxyethyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine is COCCNCCCN(C)Cc1scnc1C.
What is the InChIKey of N-(2-methoxyethyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine?
The InChIKey is ZEYKWWHWKSOUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-11-12(17-10-14-11)9-15(2)7-4-5-13-6-8-16-3/h10,13H,4-9H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine?
N-(2-methoxyethyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine has a molecular weight of 257.40 g/mol, XLogP of 1.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 63838966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).