N-(2-amino-2-oxoethyl)-N-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide

C15H17N3O3S — CID 56809028

IUPACN-(2-amino-2-oxoethyl)-N-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(OCc2nc(C(=O)N(C)CC(N)=O)cs2)cc1
InChIInChI=1S/C15H17N3O3S/c1-10-3-5-11(6-4-10)21-8-14-17-12(9-22-14)15(20)18(2)7-13(16)19/h3-6,9H,7-8H2,1-2H3,(H2,16,19)
InChIKeyGWTWRBANRIBNOA-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.59
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-N-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide

N-(2-amino-2-oxoethyl)-N-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 56809028) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
PubChem CID56809028
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-(2-amino-2-oxoethyl)-N-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(OCc2nc(C(=O)N(C)CC(N)=O)cs2)cc1
InChIInChI=1S/C15H17N3O3S/c1-10-3-5-11(6-4-10)21-8-14-17-12(9-22-14)15(20)18(2)7-13(16)19/h3-6,9H,7-8H2,1-2H3,(H2,16,19)
InChIKeyGWTWRBANRIBNOA-UHFFFAOYSA-N
XLogP1.59
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46474338
N-methyl-2-[(4-methylphenoxy)methyl]-N-[(2-nitrophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 39142612
N-ethoxy-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 18169105
N-methyl-2-[(4-methylphenoxy)methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 38076408
N-ethyl-N-methyl-2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 42835464
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24529346
2-[(4-chlorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 55538672
2-benzoyloxyethyl 2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxylate
CID 43056522
2-[(4-chlorophenoxy)methyl]-N-methyl-N-(3-phenoxypropyl)-1,3-thiazole-4-carboxamide
CID 55654397
methyl 2-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carbonyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580661
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 111543162
4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole
CID 78998169

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide (CID 56809028) is N-(2-amino-2-oxoethyl)-N-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide is Cc1ccc(OCc2nc(C(=O)N(C)CC(N)=O)cs2)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is GWTWRBANRIBNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-10-3-5-11(6-4-10)21-8-14-17-12(9-22-14)15(20)18(2)7-13(16)19/h3-6,9H,7-8H2,1-2H3,(H2,16,19).
What are the key properties of N-(2-amino-2-oxoethyl)-N-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
N-(2-amino-2-oxoethyl)-N-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56809028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).