N,N-diethyl-5-[(furan-3-ylmethylamino)methyl]-1,3-thiazol-2-amine

C13H19N3OS — CID 115595001

IUPACN,N-diethyl-5-[(furan-3-ylmethylamino)methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNCc2ccoc2)s1
InChIInChI=1S/C13H19N3OS/c1-3-16(4-2)13-15-9-12(18-13)8-14-7-11-5-6-17-10-11/h5-6,9-10,14H,3-4,7-8H2,1-2H3
InChIKeyXYQJXDVWWGHTBX-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.87
Rot. Bonds7

About N,N-diethyl-5-[(furan-3-ylmethylamino)methyl]-1,3-thiazol-2-amine

N,N-diethyl-5-[(furan-3-ylmethylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 115595001) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N,N-diethyl-5-[(furan-3-ylmethylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[(furan-3-ylmethylamino)methyl]-1,3-thiazol-2-amine
PubChem CID115595001
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN,N-diethyl-5-[(furan-3-ylmethylamino)methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNCc2ccoc2)s1
InChIInChI=1S/C13H19N3OS/c1-3-16(4-2)13-15-9-12(18-13)8-14-7-11-5-6-17-10-11/h5-6,9-10,14H,3-4,7-8H2,1-2H3
InChIKeyXYQJXDVWWGHTBX-UHFFFAOYSA-N
XLogP2.87
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61282763
N,N-diethyl-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1,3-thiazol-2-amine
CID 43770454
5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 62047327
N,N-diethyl-5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 103700618
N,N-diethyl-5-[(2-phenylethylamino)methyl]-1,3-thiazol-2-amine
CID 43761852
N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-3-yl)methanamine
CID 115607181
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-ethylacetamide
CID 43777703
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
N,N-diethyl-5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine
CID 104627065
N,N-diethyl-5-[[(1-methylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-amine
CID 103735792
N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43757506
N,N-diethyl-5-[(2-phenylpropylamino)methyl]-1,3-thiazol-2-amine
CID 43769127

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(furan-3-ylmethylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-5-[(furan-3-ylmethylamino)methyl]-1,3-thiazol-2-amine (CID 115595001) is N,N-diethyl-5-[(furan-3-ylmethylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-[(furan-3-ylmethylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-[(furan-3-ylmethylamino)methyl]-1,3-thiazol-2-amine is CCN(CC)c1ncc(CNCc2ccoc2)s1.
What is the InChIKey of N,N-diethyl-5-[(furan-3-ylmethylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is XYQJXDVWWGHTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-3-16(4-2)13-15-9-12(18-13)8-14-7-11-5-6-17-10-11/h5-6,9-10,14H,3-4,7-8H2,1-2H3.
What are the key properties of N,N-diethyl-5-[(furan-3-ylmethylamino)methyl]-1,3-thiazol-2-amine?
N,N-diethyl-5-[(furan-3-ylmethylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 265.38 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(furan-3-ylmethylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 115595001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).