[5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methanamine

C12H17N3OS — CID 62428436

IUPAC[5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methanamine
SMILESCc1oc(CN)cc1CN(C)Cc1cscn1
InChIInChI=1S/C12H17N3OS/c1-9-10(3-12(4-13)16-9)5-15(2)6-11-7-17-8-14-11/h3,7-8H,4-6,13H2,1-2H3
InChIKeyLTNJYIXBZLLOIW-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.14
Rot. Bonds5

About [5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methanamine

[5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methanamine (PubChem CID 62428436) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is [5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methanamine
PubChem CID62428436
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name[5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methanamine
SMILESCc1oc(CN)cc1CN(C)Cc1cscn1
InChIInChI=1S/C12H17N3OS/c1-9-10(3-12(4-13)16-9)5-15(2)6-11-7-17-8-14-11/h3,7-8H,4-6,13H2,1-2H3
InChIKeyLTNJYIXBZLLOIW-UHFFFAOYSA-N
XLogP2.14
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methanamine?
The IUPAC name of [5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methanamine (CID 62428436) is [5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methanamine is Cc1oc(CN)cc1CN(C)Cc1cscn1.
What is the InChIKey of [5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methanamine?
The InChIKey is LTNJYIXBZLLOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-9-10(3-12(4-13)16-9)5-15(2)6-11-7-17-8-14-11/h3,7-8H,4-6,13H2,1-2H3.
What are the key properties of [5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methanamine?
[5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methanamine has a molecular weight of 251.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methanamine is sourced from PubChem (CID 62428436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).