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

C13H18N2OS — CID 61282442

IUPAC1-(2,5-dimethylfuran-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCc1cc(C(C)NCc2csc(C)n2)c(C)o1
InChIInChI=1S/C13H18N2OS/c1-8-5-13(10(3)16-8)9(2)14-6-12-7-17-11(4)15-12/h5,7,9,14H,6H2,1-4H3
InChIKeyBXPMGDCRBDTOIF-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.51
Rot. Bonds4

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

1-(2,5-dimethylfuran-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 61282442) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID61282442
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name1-(2,5-dimethylfuran-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCc1cc(C(C)NCc2csc(C)n2)c(C)o1
InChIInChI=1S/C13H18N2OS/c1-8-5-13(10(3)16-8)9(2)14-6-12-7-17-11(4)15-12/h5,7,9,14H,6H2,1-4H3
InChIKeyBXPMGDCRBDTOIF-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-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 61281296
1-(2,5-dimethylfuran-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 64539114
3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 86856534
1-(2,5-dimethylfuran-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 81171094
1-(2,5-difluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43433814
1-(2,4-dibromophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61282639
(1R)-1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 28781310
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 61282600
(1R)-1-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 28781229
1-(1,3-dimethylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 63378657
1-(2-bromo-4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 103778055
1-(2,5-dimethylfuran-3-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 63981125

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine (CID 61282442) is 1-(2,5-dimethylfuran-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine is Cc1cc(C(C)NCc2csc(C)n2)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is BXPMGDCRBDTOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-8-5-13(10(3)16-8)9(2)14-6-12-7-17-11(4)15-12/h5,7,9,14H,6H2,1-4H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
1-(2,5-dimethylfuran-3-yl)-N-[(2-methyl-1,3-thiazol-4-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-(2,5-dimethylfuran-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 61282442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).