N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-diethylethane-1,2-diamine

C13H26N4OS — CID 43665107

IUPACN-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCc1sc(N(C)C)nc1OC
InChIInChI=1S/C13H26N4OS/c1-6-17(7-2)9-8-14-10-11-12(18-5)15-13(19-11)16(3)4/h14H,6-10H2,1-5H3
InChIKeyMYRWAORKXWQLGD-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.65
Rot. Bonds9

About N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-diethylethane-1,2-diamine

N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-diethylethane-1,2-diamine (PubChem CID 43665107) has the molecular formula C13H26N4OS and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-diethylethane-1,2-diamine
PubChem CID43665107
Molecular FormulaC13H26N4OS
Molecular Weight286.44 g/mol
Exact Mass286.18
IUPAC NameN-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCc1sc(N(C)C)nc1OC
InChIInChI=1S/C13H26N4OS/c1-6-17(7-2)9-8-14-10-11-12(18-5)15-13(19-11)16(3)4/h14H,6-10H2,1-5H3
InChIKeyMYRWAORKXWQLGD-UHFFFAOYSA-N
XLogP1.65
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-diethylethane-1,2-diamine (CID 43665107) is N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNCc1sc(N(C)C)nc1OC.
What is the InChIKey of N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is MYRWAORKXWQLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4OS/c1-6-17(7-2)9-8-14-10-11-12(18-5)15-13(19-11)16(3)4/h14H,6-10H2,1-5H3.
What are the key properties of N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-diethylethane-1,2-diamine?
N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 286.44 g/mol, XLogP of 1.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 43665107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).