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

C14H18N2O4S2 — CID 111113168

IUPAC2-[(1,1-dioxothiolan-3-yl)-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol
SMILESO=S1(=O)CCC(N(CCO)Cc2csc(-c3ccco3)n2)C1
InChIInChI=1S/C14H18N2O4S2/c17-5-4-16(12-3-7-22(18,19)10-12)8-11-9-21-14(15-11)13-2-1-6-20-13/h1-2,6,9,12,17H,3-5,7-8,10H2
InChIKeyDGZHCQYBKIMKLM-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.38
Rot. Bonds6

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

2-[(1,1-dioxothiolan-3-yl)-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol (PubChem CID 111113168) has the molecular formula C14H18N2O4S2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol
PubChem CID111113168
Molecular FormulaC14H18N2O4S2
Molecular Weight342.44 g/mol
Exact Mass342.07
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol
SMILESO=S1(=O)CCC(N(CCO)Cc2csc(-c3ccco3)n2)C1
InChIInChI=1S/C14H18N2O4S2/c17-5-4-16(12-3-7-22(18,19)10-12)8-11-9-21-14(15-11)13-2-1-6-20-13/h1-2,6,9,12,17H,3-5,7-8,10H2
InChIKeyDGZHCQYBKIMKLM-UHFFFAOYSA-N
XLogP1.38
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[cyclobutyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol
CID 102676857
N-cyclopropyl-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 43577125
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
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43573534
(3R)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,1-dioxothiolan-3-amine
CID 36949347
N-(1,1-dioxothiolan-3-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
CID 55570614
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
4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]butan-2-ol
CID 111488713
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 33094746
(3R)-N-butyl-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
CID 95173599

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol (CID 111113168) is 2-[(1,1-dioxothiolan-3-yl)-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol is O=S1(=O)CCC(N(CCO)Cc2csc(-c3ccco3)n2)C1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol?
The InChIKey is DGZHCQYBKIMKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S2/c17-5-4-16(12-3-7-22(18,19)10-12)8-11-9-21-14(15-11)13-2-1-6-20-13/h1-2,6,9,12,17H,3-5,7-8,10H2.
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol?
2-[(1,1-dioxothiolan-3-yl)-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol has a molecular weight of 342.44 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol is sourced from PubChem (CID 111113168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).