N'-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine

C14H28N4S — CID 63727761

IUPACN'-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCCNCc1sc(N(C)CCCN(C)C)nc1CC
InChIInChI=1S/C14H28N4S/c1-6-12-13(11-15-7-2)19-14(16-12)18(5)10-8-9-17(3)4/h15H,6-11H2,1-5H3
InChIKeyYKPJRYZNGWMUTN-UHFFFAOYSA-N
MW284.47 g/mol
LogP2.20
Rot. Bonds9

About N'-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 63727761) has the molecular formula C14H28N4S and a molecular weight of 284.47 g/mol. Its IUPAC name is N'-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID63727761
Molecular FormulaC14H28N4S
Molecular Weight284.47 g/mol
Exact Mass284.20
IUPAC NameN'-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCCNCc1sc(N(C)CCCN(C)C)nc1CC
InChIInChI=1S/C14H28N4S/c1-6-12-13(11-15-7-2)19-14(16-12)18(5)10-8-9-17(3)4/h15H,6-11H2,1-5H3
InChIKeyYKPJRYZNGWMUTN-UHFFFAOYSA-N
XLogP2.20
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63726893
N'-[4-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63725858
N-(2-ethoxyethyl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 81067888
N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 63725686
4-ethyl-5-(ethylaminomethyl)-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 62765369
N-butyl-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62766184
4-ethyl-5-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine
CID 63864932
N,4-diethyl-5-(ethylaminomethyl)-N-propyl-1,3-thiazol-2-amine
CID 62766743
N,N,N'-trimethyl-N'-[4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]ethane-1,2-diamine
CID 63727753
N,N,N'-trimethyl-N'-[4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-yl]propane-1,3-diamine
CID 79381980
4-ethyl-5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 62769365
N-(3,3-dimethylbutan-2-yl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 55117321

Frequently Asked Questions

What is the IUPAC name of N'-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine (CID 63727761) is N'-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine is CCNCc1sc(N(C)CCCN(C)C)nc1CC.
What is the InChIKey of N'-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is YKPJRYZNGWMUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4S/c1-6-12-13(11-15-7-2)19-14(16-12)18(5)10-8-9-17(3)4/h15H,6-11H2,1-5H3.
What are the key properties of N'-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 284.47 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 63727761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).