N-[[2-(furan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine

C14H20N2O2S — CID 82441346

IUPACN-[[2-(furan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1sc(-c2ccco2)nc1COC
InChIInChI=1S/C14H20N2O2S/c1-4-10(2)15-8-13-11(9-17-3)16-14(19-13)12-6-5-7-18-12/h5-7,10,15H,4,8-9H2,1-3H3
InChIKeyYXEZZJHLQYXWFA-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.44
Rot. Bonds7

About N-[[2-(furan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine

N-[[2-(furan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine (PubChem CID 82441346) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[[2-(furan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-[[2-(furan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
PubChem CID82441346
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[[2-(furan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1sc(-c2ccco2)nc1COC
InChIInChI=1S/C14H20N2O2S/c1-4-10(2)15-8-13-11(9-17-3)16-14(19-13)12-6-5-7-18-12/h5-7,10,15H,4,8-9H2,1-3H3
InChIKeyYXEZZJHLQYXWFA-UHFFFAOYSA-N
XLogP3.44
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(methoxymethyl)-2-(2-methylfuran-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366596
2-[2-(furan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82441357
N-[[4-ethyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 113459709
N-[[2-(2-bromophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366494
N-[[4-(methoxymethyl)-2-(5-methylpyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366562
N-[[2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366575
1-[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62699846
N-[[2-(1-benzofuran-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366260
N-[[2-(3-ethyl-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366521
N-[[2-(5-fluoro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366484
N-[[2-(3-fluoro-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366514
N-[[4-cyclopropyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 82437446

Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine?
The IUPAC name of N-[[2-(furan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine (CID 82441346) is N-[[2-(furan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine.
What is the SMILES notation for N-[[2-(furan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine?
The canonical SMILES for N-[[2-(furan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine is CCC(C)NCc1sc(-c2ccco2)nc1COC.
What is the InChIKey of N-[[2-(furan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine?
The InChIKey is YXEZZJHLQYXWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-4-10(2)15-8-13-11(9-17-3)16-14(19-13)12-6-5-7-18-12/h5-7,10,15H,4,8-9H2,1-3H3.
What are the key properties of N-[[2-(furan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine?
N-[[2-(furan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine has a molecular weight of 280.39 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine is sourced from PubChem (CID 82441346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).