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

C11H22N4OS — CID 43665040

IUPACN-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1nc(N(C)C)sc1CNCCN(C)C
InChIInChI=1S/C11H22N4OS/c1-14(2)7-6-12-8-9-10(16-5)13-11(17-9)15(3)4/h12H,6-8H2,1-5H3
InChIKeyBJIPWMPQYUPYJQ-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.87
Rot. Bonds7

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

N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 43665040) has the molecular formula C11H22N4OS and a molecular weight of 258.39 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID43665040
Molecular FormulaC11H22N4OS
Molecular Weight258.39 g/mol
Exact Mass258.15
IUPAC NameN-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1nc(N(C)C)sc1CNCCN(C)C
InChIInChI=1S/C11H22N4OS/c1-14(2)7-6-12-8-9-10(16-5)13-11(17-9)15(3)4/h12H,6-8H2,1-5H3
InChIKeyBJIPWMPQYUPYJQ-UHFFFAOYSA-N
XLogP0.87
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.87
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'-dimethylethane-1,2-diamine?
The IUPAC name of N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine (CID 43665040) is N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine is COc1nc(N(C)C)sc1CNCCN(C)C.
What is the InChIKey of N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is BJIPWMPQYUPYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4OS/c1-14(2)7-6-12-8-9-10(16-5)13-11(17-9)15(3)4/h12H,6-8H2,1-5H3.
What are the key properties of N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine?
N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 258.39 g/mol, XLogP of 0.87, 7 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'-dimethylethane-1,2-diamine is sourced from PubChem (CID 43665040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).