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

C12H16N2OS — CID 103777253

IUPAC1-(furan-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1nc(CCNC(C)c2ccoc2)cs1
InChIInChI=1S/C12H16N2OS/c1-9(11-4-6-15-7-11)13-5-3-12-8-16-10(2)14-12/h4,6-9,13H,3,5H2,1-2H3
InChIKeyKDVFBMNMYQCJBG-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.94
Rot. Bonds5

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

1-(furan-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine (PubChem CID 103777253) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
PubChem CID103777253
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name1-(furan-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1nc(CCNC(C)c2ccoc2)cs1
InChIInChI=1S/C12H16N2OS/c1-9(11-4-6-15-7-11)13-5-3-12-8-16-10(2)14-12/h4,6-9,13H,3,5H2,1-2H3
InChIKeyKDVFBMNMYQCJBG-UHFFFAOYSA-N
XLogP2.94
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylethanamine
CID 103777232
1-(4-iodophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777228
1-(furan-3-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 115898804
1-(3-bromophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 113246949
1-(1,3-benzodioxol-5-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777111
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
CID 103777249
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 103880851
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 103777248
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 106038951
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 103777178
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanenitrile
CID 106045354
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The IUPAC name of 1-(furan-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine (CID 103777253) is 1-(furan-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(furan-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-(furan-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine is Cc1nc(CCNC(C)c2ccoc2)cs1.
What is the InChIKey of 1-(furan-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The InChIKey is KDVFBMNMYQCJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-9(11-4-6-15-7-11)13-5-3-12-8-16-10(2)14-12/h4,6-9,13H,3,5H2,1-2H3.
What are the key properties of 1-(furan-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
1-(furan-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine has a molecular weight of 236.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 103777253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).