2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]ethanol

C12H20N2O3S2 — CID 111462481

IUPAC2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]ethanol
SMILESCc1nc(C)c(CN(CCO)C2CCS(=O)(=O)C2)s1
InChIInChI=1S/C12H20N2O3S2/c1-9-12(18-10(2)13-9)7-14(4-5-15)11-3-6-19(16,17)8-11/h11,15H,3-8H2,1-2H3
InChIKeyTZXYWJUBKPNHIH-UHFFFAOYSA-N
MW304.44 g/mol
LogP0.74
Rot. Bonds5

About 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]ethanol

2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]ethanol (PubChem CID 111462481) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]ethanol
PubChem CID111462481
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]ethanol
SMILESCc1nc(C)c(CN(CCO)C2CCS(=O)(=O)C2)s1
InChIInChI=1S/C12H20N2O3S2/c1-9-12(18-10(2)13-9)7-14(4-5-15)11-3-6-19(16,17)8-11/h11,15H,3-8H2,1-2H3
InChIKeyTZXYWJUBKPNHIH-UHFFFAOYSA-N
XLogP0.74
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]ethanol with MolForge

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)-[(4-propan-2-ylphenyl)methyl]amino]ethanol
CID 110881825
2-[(1,1-dioxothiolan-3-yl)-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol
CID 111113168
2-[[(3R)-1,1-dioxothiolan-3-yl]-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]ethanol
CID 28667706
2-[cyclobutyl-(1,1-dioxothiolan-3-yl)amino]ethanol
CID 102870203
2-[tert-butyl-(1,1-dioxothiolan-3-yl)amino]ethanol
CID 59691476
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)formamide
CID 62113335
N-ethyl-1,1-dioxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]thiolan-3-amine
CID 131909781
3-[[(1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 77095376
N-[2-(dimethylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide
CID 51504649
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 134700291
(3R)-N-benzyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,1-dioxothiolan-3-amine
CID 125179031
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60958748

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]ethanol?
The IUPAC name of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]ethanol (CID 111462481) is 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]ethanol.
What is the SMILES notation for 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]ethanol?
The canonical SMILES for 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]ethanol is Cc1nc(C)c(CN(CCO)C2CCS(=O)(=O)C2)s1.
What is the InChIKey of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]ethanol?
The InChIKey is TZXYWJUBKPNHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-9-12(18-10(2)13-9)7-14(4-5-15)11-3-6-19(16,17)8-11/h11,15H,3-8H2,1-2H3.
What are the key properties of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]ethanol?
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]ethanol has a molecular weight of 304.44 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]ethanol is sourced from PubChem (CID 111462481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).