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

C13H18N2OS — CID 61060969

IUPAC1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
SMILESCc1ccc(CNC(C)c2sc(C)nc2C)o1
InChIInChI=1S/C13H18N2OS/c1-8-5-6-12(16-8)7-14-9(2)13-10(3)15-11(4)17-13/h5-6,9,14H,7H2,1-4H3
InChIKeyIBPRWZNYPDJUQK-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.51
Rot. Bonds4

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

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine (PubChem CID 61060969) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
PubChem CID61060969
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
SMILESCc1ccc(CNC(C)c2sc(C)nc2C)o1
InChIInChI=1S/C13H18N2OS/c1-8-5-6-12(16-8)7-14-9(2)13-10(3)15-11(4)17-13/h5-6,9,14H,7H2,1-4H3
InChIKeyIBPRWZNYPDJUQK-UHFFFAOYSA-N
XLogP3.51
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromofuran-2-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 61192981
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 55149649
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 113428992
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 61060970
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 61060387
5-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103242811
N-[(5-methylfuran-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 114080332
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 62133520
N-[(2-bromophenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 61059932
4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-N,N-dimethylaniline
CID 61061113
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 61060539
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78921673

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine (CID 61060969) is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine is Cc1ccc(CNC(C)c2sc(C)nc2C)o1.
What is the InChIKey of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The InChIKey is IBPRWZNYPDJUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-8-5-6-12(16-8)7-14-9(2)13-10(3)15-11(4)17-13/h5-6,9,14H,7H2,1-4H3.
What are the key properties of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine?
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine has a molecular weight of 250.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 61060969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).