N-ethyl-1-(5-methylfuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine

C12H16N2OS — CID 105030608

IUPACN-ethyl-1-(5-methylfuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESCCNC(Cc1cncs1)c1coc(C)c1
InChIInChI=1S/C12H16N2OS/c1-3-14-12(5-11-6-13-8-16-11)10-4-9(2)15-7-10/h4,6-8,12,14H,3,5H2,1-2H3
InChIKeyOOOVFOVLPPSSGC-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.94
Rot. Bonds5

About N-ethyl-1-(5-methylfuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine

N-ethyl-1-(5-methylfuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 105030608) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-ethyl-1-(5-methylfuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-methylfuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID105030608
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-ethyl-1-(5-methylfuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESCCNC(Cc1cncs1)c1coc(C)c1
InChIInChI=1S/C12H16N2OS/c1-3-14-12(5-11-6-13-8-16-11)10-4-9(2)15-7-10/h4,6-8,12,14H,3,5H2,1-2H3
InChIKeyOOOVFOVLPPSSGC-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-ethyl-1-(furan-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 112643066
1-(3-bromo-5-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030297
1-(4-ethoxyphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030338
N-ethyl-1-(5-methylfuran-3-yl)propan-1-amine
CID 114979725
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 115841690
N-ethyl-2-(1,3-thiazol-5-yl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 112643482
1-(2-chloro-4-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 106858475
N-ethyl-1-(thiadiazol-5-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105177958
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 107968948
N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105177921
N-ethyl-1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanamine
CID 114821235
N-ethyl-1-(2-methoxy-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 106792380

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-methylfuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-ethyl-1-(5-methylfuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine (CID 105030608) is N-ethyl-1-(5-methylfuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(5-methylfuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(5-methylfuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine is CCNC(Cc1cncs1)c1coc(C)c1.
What is the InChIKey of N-ethyl-1-(5-methylfuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is OOOVFOVLPPSSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-3-14-12(5-11-6-13-8-16-11)10-4-9(2)15-7-10/h4,6-8,12,14H,3,5H2,1-2H3.
What are the key properties of N-ethyl-1-(5-methylfuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine?
N-ethyl-1-(5-methylfuran-3-yl)-2-(1,3-thiazol-5-yl)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 N-ethyl-1-(5-methylfuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 105030608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).