N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-1-(furan-3-yl)ethanamine

C12H16N2OS — CID 115896778

IUPACN-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-1-(furan-3-yl)ethanamine
SMILESCc1nc(CNC(C)c2ccoc2)c(C)s1
InChIInChI=1S/C12H16N2OS/c1-8(11-4-5-15-7-11)13-6-12-9(2)16-10(3)14-12/h4-5,7-8,13H,6H2,1-3H3
InChIKeyPGHBONCJURALHO-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.20
Rot. Bonds4

About N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-1-(furan-3-yl)ethanamine

N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-1-(furan-3-yl)ethanamine (PubChem CID 115896778) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-1-(furan-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-1-(furan-3-yl)ethanamine
PubChem CID115896778
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-1-(furan-3-yl)ethanamine
SMILESCc1nc(CNC(C)c2ccoc2)c(C)s1
InChIInChI=1S/C12H16N2OS/c1-8(11-4-5-15-7-11)13-6-12-9(2)16-10(3)14-12/h4-5,7-8,13H,6H2,1-3H3
InChIKeyPGHBONCJURALHO-UHFFFAOYSA-N
XLogP3.20
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777253
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpentan-3-amine
CID 115896787
[5-[[1-(furan-3-yl)ethylamino]methyl]furan-2-yl]methanol
CID 115711896
1-(furan-3-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 115898804
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 115774643
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpropan-1-amine
CID 115877032
N-[1-(furan-3-yl)ethyl]-2-methylprop-2-en-1-amine
CID 104579893
N-(furan-3-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
CID 104624873
1-[1-(furan-3-yl)ethylamino]-3-methylpentan-2-ol
CID 115719585
N-[1-(furan-3-yl)ethyl]-2-thiophen-2-ylpropan-1-amine
CID 115722148
1-cyclopropyl-N'-[1-(furan-3-yl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 115710253
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylbutan-1-amine
CID 115888092

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-1-(furan-3-yl)ethanamine?
The IUPAC name of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-1-(furan-3-yl)ethanamine (CID 115896778) is N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-1-(furan-3-yl)ethanamine.
What is the SMILES notation for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-1-(furan-3-yl)ethanamine?
The canonical SMILES for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-1-(furan-3-yl)ethanamine is Cc1nc(CNC(C)c2ccoc2)c(C)s1.
What is the InChIKey of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-1-(furan-3-yl)ethanamine?
The InChIKey is PGHBONCJURALHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-8(11-4-5-15-7-11)13-6-12-9(2)16-10(3)14-12/h4-5,7-8,13H,6H2,1-3H3.
What are the key properties of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-1-(furan-3-yl)ethanamine?
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-1-(furan-3-yl)ethanamine has a molecular weight of 236.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-1-(furan-3-yl)ethanamine is sourced from PubChem (CID 115896778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).