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

C14H21N3OS — CID 55088903

IUPACN-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
SMILESCc1nc(CN(C)CCNC(C)c2ccco2)cs1
InChIInChI=1S/C14H21N3OS/c1-11(14-5-4-8-18-14)15-6-7-17(3)9-13-10-19-12(2)16-13/h4-5,8,10-11,15H,6-7,9H2,1-3H3
InChIKeyYIJJTMLGWURYSQ-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.83
Rot. Bonds7

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

N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 55088903) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID55088903
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
SMILESCc1nc(CN(C)CCNC(C)c2ccco2)cs1
InChIInChI=1S/C14H21N3OS/c1-11(14-5-4-8-18-14)15-6-7-17(3)9-13-10-19-12(2)16-13/h4-5,8,10-11,15H,6-7,9H2,1-3H3
InChIKeyYIJJTMLGWURYSQ-UHFFFAOYSA-N
XLogP2.83
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
CID 62557968
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 62556302
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-propylethane-1,2-diamine
CID 62560734
N-[(4-bromophenyl)-(furan-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 75449533
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 62573599
N-[1-(furan-2-yl)ethyl]-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62557270
[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 43032895
N',N'-dimethyl-N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]propane-1,3-diamine
CID 55088905
(1S)-1-(furan-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81409314
N'-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
CID 62555893
N-(furan-2-ylmethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide
CID 61285392
1-(furan-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 115898792

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine (CID 55088903) is N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine is Cc1nc(CN(C)CCNC(C)c2ccco2)cs1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is YIJJTMLGWURYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-11(14-5-4-8-18-14)15-6-7-17(3)9-13-10-19-12(2)16-13/h4-5,8,10-11,15H,6-7,9H2,1-3H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine?
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 279.41 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 55088903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).