N-[4-(2-amino-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide

C12H11N3O3S — CID 62045992

IUPACN-[4-(2-amino-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)COc1ccc(NC(=O)c2cscn2)cc1
InChIInChI=1S/C12H11N3O3S/c13-11(16)5-18-9-3-1-8(2-4-9)15-12(17)10-6-19-7-14-10/h1-4,6-7H,5H2,(H2,13,16)(H,15,17)
InChIKeyAEZZCFGZJXAIAY-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.26
Rot. Bonds5

About N-[4-(2-amino-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide

N-[4-(2-amino-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 62045992) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID62045992
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC NameN-[4-(2-amino-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)COc1ccc(NC(=O)c2cscn2)cc1
InChIInChI=1S/C12H11N3O3S/c13-11(16)5-18-9-3-1-8(2-4-9)15-12(17)10-6-19-7-14-10/h1-4,6-7H,5H2,(H2,13,16)(H,15,17)
InChIKeyAEZZCFGZJXAIAY-UHFFFAOYSA-N
XLogP1.26
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-oxoethoxy)-1,3-thiazole-4-carboxamide
CID 112550667
N-phenyl-1,3-thiazole-4-carboxamide
CID 62045972
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-chlorofuran-3-carboxamide
CID 106685995
2-methylpropyl 4-(1,3-thiazole-4-carbonylamino)benzoate
CID 110437401
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-1,3-thiazole-4-carboxamide
CID 131938859
3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]pyrazine-2-carboxamide
CID 30831083
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-chloropyridine-4-carboxamide
CID 38383627
4-(2-amino-2-oxoethoxy)-N-phenylbenzamide
CID 27166758
N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55143046
N-[4-(2-amino-2-oxoethoxy)phenyl]-6-bromopyridine-3-carboxamide
CID 66464099
N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 62045147
N-[4-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62046167

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide (CID 62045992) is N-[4-(2-amino-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide is NC(=O)COc1ccc(NC(=O)c2cscn2)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is AEZZCFGZJXAIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c13-11(16)5-18-9-3-1-8(2-4-9)15-12(17)10-6-19-7-14-10/h1-4,6-7H,5H2,(H2,13,16)(H,15,17).
What are the key properties of N-[4-(2-amino-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide?
N-[4-(2-amino-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 277.31 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62045992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).