carbon dioxide;N-(2-methoxyethyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine

C14H16N2O3S — CID 158108642

IUPACcarbon dioxide;N-(2-methoxyethyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine
SMILESCOCCN(C)c1nc(-c2ccccc2)cs1.O=C=O
InChIInChI=1S/C13H16N2OS.CO2/c1-15(8-9-16-2)13-14-12(10-17-13)11-6-4-3-5-7-11;2-1-3/h3-7,10H,8-9H2,1-2H3;
InChIKeyFQDLUSZJOJCEHW-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.31
Rot. Bonds5

About carbon dioxide;N-(2-methoxyethyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine

carbon dioxide;N-(2-methoxyethyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine (PubChem CID 158108642) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is carbon dioxide;N-(2-methoxyethyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Namecarbon dioxide;N-(2-methoxyethyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine
PubChem CID158108642
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Namecarbon dioxide;N-(2-methoxyethyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine
SMILESCOCCN(C)c1nc(-c2ccccc2)cs1.O=C=O
InChIInChI=1S/C13H16N2OS.CO2/c1-15(8-9-16-2)13-14-12(10-17-13)11-6-4-3-5-7-11;2-1-3/h3-7,10H,8-9H2,1-2H3;
InChIKeyFQDLUSZJOJCEHW-UHFFFAOYSA-N
XLogP2.31
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-iodoprop-2-ynyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine
CID 13344830
4-[[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]benzoic acid
CID 67146644
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1,3-thiazol-2-amine
CID 133431912
2-[2-methoxyethyl(methyl)amino]-4-phenyl-1H-pyrimidin-6-one
CID 136575811
N,N-dimethyl-2-[(4-phenyl-1,3-thiazol-2-yl)oxy]ethanamine
CID 119090043
N-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)-1,3-thiazol-2-amine
CID 133433862
2-[ethyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 133370528
N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 861587
methyl 3-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040251
methyl 2-[4-[[4-[[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]phenyl]methoxy]phenyl]acetate
CID 68883515
N-[3-(dimethylamino)propyl]-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 3173561
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-methylpropanoic acid
CID 82310167

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;N-(2-methoxyethyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of carbon dioxide;N-(2-methoxyethyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine (CID 158108642) is carbon dioxide;N-(2-methoxyethyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for carbon dioxide;N-(2-methoxyethyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for carbon dioxide;N-(2-methoxyethyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine is COCCN(C)c1nc(-c2ccccc2)cs1.O=C=O.
What is the InChIKey of carbon dioxide;N-(2-methoxyethyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is FQDLUSZJOJCEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS.CO2/c1-15(8-9-16-2)13-14-12(10-17-13)11-6-4-3-5-7-11;2-1-3/h3-7,10H,8-9H2,1-2H3;.
What are the key properties of carbon dioxide;N-(2-methoxyethyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine?
carbon dioxide;N-(2-methoxyethyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 292.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;N-(2-methoxyethyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 158108642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).