N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide

C10H14N2O3S — CID 104708938

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOC1(CNC(=O)c2cscn2)CCOC1
InChIInChI=1S/C10H14N2O3S/c1-14-10(2-3-15-6-10)5-11-9(13)8-4-16-7-12-8/h4,7H,2-3,5-6H2,1H3,(H,11,13)
InChIKeyZPYKIRHJHWTKJJ-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.68
Rot. Bonds4

About N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide

N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 104708938) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID104708938
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOC1(CNC(=O)c2cscn2)CCOC1
InChIInChI=1S/C10H14N2O3S/c1-14-10(2-3-15-6-10)5-11-9(13)8-4-16-7-12-8/h4,7H,2-3,5-6H2,1H3,(H,11,13)
InChIKeyZPYKIRHJHWTKJJ-UHFFFAOYSA-N
XLogP0.68
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorooxolan-3-yl)-N-methyl-1,3-thiazole-4-carboxamide
CID 126856379
N-(2-fluorooxan-3-yl)-1,3-thiazole-4-carboxamide
CID 126857058
N-[(3R,4S)-4-fluorooxolan-3-yl]-1,3-thiazole-4-carboxamide
CID 137947152
2-[2-(1,3-Thiazole-4-carbonylamino)ethoxy]ethyl nitrate
CID 20060233
N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 20060308
N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 63037732
N-[2-[2-[2-[2-[2-[formyl(methyl)amino]ethyl-methylamino]ethoxy]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide
CID 132126149
N-1-oxaspiro[4.5]dec-3-yl-1,3-thiazole-4-carboxamide
CID 45193874
Ethyl 2-(1,3-thiazole-4-carbonylamino)acetate
CID 55219294
N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 55219901
N-[[4-(dimethylamino)oxan-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 60310375
N-(1-methoxybutan-2-yl)-1,3-thiazole-4-carboxamide
CID 60323804

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide (CID 104708938) is N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide is COC1(CNC(=O)c2cscn2)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZPYKIRHJHWTKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-14-10(2-3-15-6-10)5-11-9(13)8-4-16-7-12-8/h4,7H,2-3,5-6H2,1H3,(H,11,13).
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide?
N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 242.30 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 104708938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).