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

C13H18N2OS — CID 113429018

IUPAC1-(2,5-dimethylfuran-3-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCc1cc(C(C)NCc2ncc(C)s2)c(C)o1
InChIInChI=1S/C13H18N2OS/c1-8-5-12(11(4)16-8)10(3)14-7-13-15-6-9(2)17-13/h5-6,10,14H,7H2,1-4H3
InChIKeyAPUHTTHKFJMLLX-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.51
Rot. Bonds4

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

1-(2,5-dimethylfuran-3-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 113429018) 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-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID113429018
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name1-(2,5-dimethylfuran-3-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCc1cc(C(C)NCc2ncc(C)s2)c(C)o1
InChIInChI=1S/C13H18N2OS/c1-8-5-12(11(4)16-8)10(3)14-7-13-15-6-9(2)17-13/h5-6,10,14H,7H2,1-4H3
InChIKeyAPUHTTHKFJMLLX-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

1-(3,5-dimethylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786249
1-(2,5-dimethoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786252
1-(2,5-dimethylfuran-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 64539114
1-(2-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786265
N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 43121203
1-(2,3-difluorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103915820
1-(2,5-dimethylfuran-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61282442
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 66140201
1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103787022
1-(2,5-dimethylfuran-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 81171094
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-2-ylethanamine
CID 103729858
1-(3-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 113247038

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine (CID 113429018) is 1-(2,5-dimethylfuran-3-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine is Cc1cc(C(C)NCc2ncc(C)s2)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is APUHTTHKFJMLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-8-5-12(11(4)16-8)10(3)14-7-13-15-6-9(2)17-13/h5-6,10,14H,7H2,1-4H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
1-(2,5-dimethylfuran-3-yl)-N-[(5-methyl-1,3-thiazol-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-(2,5-dimethylfuran-3-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 113429018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).