2-[cyclobutyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol

C14H18N2O2S — CID 102676857

IUPAC2-[cyclobutyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol
SMILESOCCN(Cc1csc(-c2ccco2)n1)C1CCC1
InChIInChI=1S/C14H18N2O2S/c17-7-6-16(12-3-1-4-12)9-11-10-19-14(15-11)13-5-2-8-18-13/h2,5,8,10,12,17H,1,3-4,6-7,9H2
InChIKeyLAEQIULFNZNXCI-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.75
Rot. Bonds6

About 2-[cyclobutyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol

2-[cyclobutyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol (PubChem CID 102676857) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-[cyclobutyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol
PubChem CID102676857
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-[cyclobutyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol
SMILESOCCN(Cc1csc(-c2ccco2)n1)C1CCC1
InChIInChI=1S/C14H18N2O2S/c17-7-6-16(12-3-1-4-12)9-11-10-19-14(15-11)13-5-2-8-18-13/h2,5,8,10,12,17H,1,3-4,6-7,9H2
InChIKeyLAEQIULFNZNXCI-UHFFFAOYSA-N
XLogP2.75
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[cyclobutyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol with MolForge

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol
CID 111113168
2-[cyclopentyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]acetic acid
CID 60833022
N-cyclobutyl-2-(furan-2-yl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 102684223
N-cyclopropyl-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 43577125
2-[cyclopentyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol
CID 62014677
2-[cyclohexyl(furan-2-ylmethyl)amino]ethanol
CID 62016796
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-N-propylpropan-1-amine
CID 86989378
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
CID 134033866
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
CID 51952592
4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]butan-2-ol
CID 111488713
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43573534
1-cyclopropyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
CID 115593190

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol?
The IUPAC name of 2-[cyclobutyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol (CID 102676857) is 2-[cyclobutyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol is OCCN(Cc1csc(-c2ccco2)n1)C1CCC1.
What is the InChIKey of 2-[cyclobutyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol?
The InChIKey is LAEQIULFNZNXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-7-6-16(12-3-1-4-12)9-11-10-19-14(15-11)13-5-2-8-18-13/h2,5,8,10,12,17H,1,3-4,6-7,9H2.
What are the key properties of 2-[cyclobutyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol?
2-[cyclobutyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol has a molecular weight of 278.38 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol is sourced from PubChem (CID 102676857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).