N'-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine

C14H28N4S — CID 120898753

IUPACN'-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCN(CC)CCN(Cc1cnc(N)s1)CC(C)C
InChIInChI=1S/C14H28N4S/c1-5-17(6-2)7-8-18(10-12(3)4)11-13-9-16-14(15)19-13/h9,12H,5-8,10-11H2,1-4H3,(H2,15,16)
InChIKeyYYMSPVDWQMEMLD-UHFFFAOYSA-N
MW284.47 g/mol
LogP2.53
Rot. Bonds9

About N'-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine

N'-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 120898753) has the molecular formula C14H28N4S and a molecular weight of 284.47 g/mol. Its IUPAC name is N'-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID120898753
Molecular FormulaC14H28N4S
Molecular Weight284.47 g/mol
Exact Mass284.20
IUPAC NameN'-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCN(CC)CCN(Cc1cnc(N)s1)CC(C)C
InChIInChI=1S/C14H28N4S/c1-5-17(6-2)7-8-18(10-12(3)4)11-13-9-16-14(15)19-13/h9,12H,5-8,10-11H2,1-4H3,(H2,15,16)
InChIKeyYYMSPVDWQMEMLD-UHFFFAOYSA-N
XLogP2.53
TPSA45.39 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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N'-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine with MolForge

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Related Compounds

5-[[2,2-dimethylpropyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine
CID 120901430
5-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898883
ethyl 2-[(2-amino-1,3-thiazol-5-yl)methyl-(2-methylpropyl)amino]acetate;hydrochloride
CID 120898778
N-ethyl-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 79765022
5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine
CID 79772688
5-[[ethyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901421
N-ethyl-5-[[ethyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine
CID 79771732
5-[[(3,4-dichlorophenyl)methyl-ethylamino]methyl]-1,3-thiazol-2-amine
CID 120902910
2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-1-(4-methylphenyl)ethanol;hydrochloride
CID 120901014
methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]propanoate
CID 120899079
5-[[ethyl(2-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898756
2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-N-ethylacetamide;hydrochloride
CID 120897609

Frequently Asked Questions

What is the IUPAC name of N'-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 120898753) is N'-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine is CCN(CC)CCN(Cc1cnc(N)s1)CC(C)C.
What is the InChIKey of N'-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is YYMSPVDWQMEMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4S/c1-5-17(6-2)7-8-18(10-12(3)4)11-13-9-16-14(15)19-13/h9,12H,5-8,10-11H2,1-4H3,(H2,15,16).
What are the key properties of N'-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 284.47 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 120898753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).