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

C15H30N4S — CID 63726893

IUPACN'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCCCNCc1sc(N(C)CCCN(C)C)nc1CC
InChIInChI=1S/C15H30N4S/c1-6-9-16-12-14-13(7-2)17-15(20-14)19(5)11-8-10-18(3)4/h16H,6-12H2,1-5H3
InChIKeyUDHNTXWWIIJEIO-UHFFFAOYSA-N
MW298.50 g/mol
LogP2.59
Rot. Bonds10

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

N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 63726893) has the molecular formula C15H30N4S and a molecular weight of 298.50 g/mol. Its IUPAC name is N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID63726893
Molecular FormulaC15H30N4S
Molecular Weight298.50 g/mol
Exact Mass298.22
IUPAC NameN'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCCCNCc1sc(N(C)CCCN(C)C)nc1CC
InChIInChI=1S/C15H30N4S/c1-6-9-16-12-14-13(7-2)17-15(20-14)19(5)11-8-10-18(3)4/h16H,6-12H2,1-5H3
InChIKeyUDHNTXWWIIJEIO-UHFFFAOYSA-N
XLogP2.59
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 52.59
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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Related Compounds

N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 63725686
N'-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63727761
N'-[4-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63725858
N,N,N'-trimethyl-N'-[4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-yl]propane-1,3-diamine
CID 79381980
N,N,N'-trimethyl-N'-[4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]ethane-1,2-diamine
CID 63727753
N-butyl-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62766184
4-ethyl-N-propan-2-yl-N-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62767784
4-ethyl-N-methyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62768109
N-[(5-chlorothiophen-2-yl)methyl]-4-ethyl-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62767520
4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 115987962
4-(methoxymethyl)-N-methyl-N-(3-methylbutyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 107510230
N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3-thiazol-2-amine
CID 55117456

Frequently Asked Questions

What is the IUPAC name of N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine (CID 63726893) is N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine is CCCNCc1sc(N(C)CCCN(C)C)nc1CC.
What is the InChIKey of N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is UDHNTXWWIIJEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4S/c1-6-9-16-12-14-13(7-2)17-15(20-14)19(5)11-8-10-18(3)4/h16H,6-12H2,1-5H3.
What are the key properties of N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 298.50 g/mol, XLogP of 2.59, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 63726893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).