N,N-diethyl-1-(furan-2-yl)-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine

C18H28N4O2S — CID 119111563

IUPACN,N-diethyl-1-(furan-2-yl)-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
SMILESCCN(CC)C(CNCc1cnc(N2CCOCC2)s1)c1ccco1
InChIInChI=1S/C18H28N4O2S/c1-3-21(4-2)16(17-6-5-9-24-17)14-19-12-15-13-20-18(25-15)22-7-10-23-11-8-22/h5-6,9,13,16,19H,3-4,7-8,10-12,14H2,1-2H3
InChIKeyAVRPKENLUIAWKO-UHFFFAOYSA-N
MW364.52 g/mol
LogP2.75
Rot. Bonds9

About N,N-diethyl-1-(furan-2-yl)-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine

N,N-diethyl-1-(furan-2-yl)-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine (PubChem CID 119111563) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is N,N-diethyl-1-(furan-2-yl)-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-diethyl-1-(furan-2-yl)-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
PubChem CID119111563
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC NameN,N-diethyl-1-(furan-2-yl)-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
SMILESCCN(CC)C(CNCc1cnc(N2CCOCC2)s1)c1ccco1
InChIInChI=1S/C18H28N4O2S/c1-3-21(4-2)16(17-6-5-9-24-17)14-19-12-15-13-20-18(25-15)22-7-10-23-11-8-22/h5-6,9,13,16,19H,3-4,7-8,10-12,14H2,1-2H3
InChIKeyAVRPKENLUIAWKO-UHFFFAOYSA-N
XLogP2.75
TPSA53.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-diethyl-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine
CID 119110920
5-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]pentanenitrile
CID 119115319
1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111283453
(1S)-1-[[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]methyl]-2,3-dihydroinden-1-ol
CID 99632295
2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103503613
1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111020744
1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111533993
N-[[2-(2,2-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62751980
N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62749865
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111728311
N,N-dimethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine;hydrochloride
CID 47052244
1-(furan-2-yl)-N,N-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine
CID 55109777

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(furan-2-yl)-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N,N-diethyl-1-(furan-2-yl)-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine (CID 119111563) is N,N-diethyl-1-(furan-2-yl)-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N-diethyl-1-(furan-2-yl)-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N,N-diethyl-1-(furan-2-yl)-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine is CCN(CC)C(CNCc1cnc(N2CCOCC2)s1)c1ccco1.
What is the InChIKey of N,N-diethyl-1-(furan-2-yl)-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine?
The InChIKey is AVRPKENLUIAWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2S/c1-3-21(4-2)16(17-6-5-9-24-17)14-19-12-15-13-20-18(25-15)22-7-10-23-11-8-22/h5-6,9,13,16,19H,3-4,7-8,10-12,14H2,1-2H3.
What are the key properties of N,N-diethyl-1-(furan-2-yl)-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine?
N,N-diethyl-1-(furan-2-yl)-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine has a molecular weight of 364.52 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(furan-2-yl)-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 119111563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).