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

C14H20N2OS — CID 104842115

IUPACN-[[4-ethyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1nc(-c2ccoc2)sc1CNCC(C)C
InChIInChI=1S/C14H20N2OS/c1-4-12-13(8-15-7-10(2)3)18-14(16-12)11-5-6-17-9-11/h5-6,9-10,15H,4,7-8H2,1-3H3
InChIKeyQQXUYQFZNLMWKW-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.71
Rot. Bonds6

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

N-[[4-ethyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 104842115) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[[4-ethyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID104842115
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-[[4-ethyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1nc(-c2ccoc2)sc1CNCC(C)C
InChIInChI=1S/C14H20N2OS/c1-4-12-13(8-15-7-10(2)3)18-14(16-12)11-5-6-17-9-11/h5-6,9-10,15H,4,7-8H2,1-3H3
InChIKeyQQXUYQFZNLMWKW-UHFFFAOYSA-N
XLogP3.71
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-ethyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 104842115) is N-[[4-ethyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-ethyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-ethyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is CCc1nc(-c2ccoc2)sc1CNCC(C)C.
What is the InChIKey of N-[[4-ethyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is QQXUYQFZNLMWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-4-12-13(8-15-7-10(2)3)18-14(16-12)11-5-6-17-9-11/h5-6,9-10,15H,4,7-8H2,1-3H3.
What are the key properties of N-[[4-ethyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[4-ethyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 264.39 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 104842115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).