2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]butan-1-amine

C12H16N2OS — CID 116891347

IUPAC2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]butan-1-amine
SMILESCCC(CN)c1csc(-c2ccc(C)o2)n1
InChIInChI=1S/C12H16N2OS/c1-3-9(6-13)10-7-16-12(14-10)11-5-4-8(2)15-11/h4-5,7,9H,3,6,13H2,1-2H3
InChIKeyQRDXWUDGESHDRQ-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.16
Rot. Bonds4

About 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]butan-1-amine

2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]butan-1-amine (PubChem CID 116891347) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]butan-1-amine
PubChem CID116891347
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]butan-1-amine
SMILESCCC(CN)c1csc(-c2ccc(C)o2)n1
InChIInChI=1S/C12H16N2OS/c1-3-9(6-13)10-7-16-12(14-10)11-5-4-8(2)15-11/h4-5,7,9H,3,6,13H2,1-2H3
InChIKeyQRDXWUDGESHDRQ-UHFFFAOYSA-N
XLogP3.16
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]propan-1-ol
CID 115089095
2-[2-(5-bromofuran-2-yl)-1,3-thiazol-4-yl]propan-1-amine
CID 115089098
[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]hydrazine
CID 116892150
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanethiol
CID 116889582
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol
CID 116891278
N-[2-(aminomethyl)cyclohexyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 119612433
N-(1-hydroxypropan-2-yl)-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 109388495
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 119607540
2-methyl-3-[methyl-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]amino]propanenitrile
CID 47395660
N-(2-amino-2-ethylbutyl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119643826
2-[ethyl-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 119206330

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]butan-1-amine?
The IUPAC name of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]butan-1-amine (CID 116891347) is 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]butan-1-amine.
What is the SMILES notation for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]butan-1-amine?
The canonical SMILES for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]butan-1-amine is CCC(CN)c1csc(-c2ccc(C)o2)n1.
What is the InChIKey of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]butan-1-amine?
The InChIKey is QRDXWUDGESHDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-3-9(6-13)10-7-16-12(14-10)11-5-4-8(2)15-11/h4-5,7,9H,3,6,13H2,1-2H3.
What are the key properties of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]butan-1-amine?
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]butan-1-amine has a molecular weight of 236.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]butan-1-amine is sourced from PubChem (CID 116891347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).