2-[(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

C17H19N2O3S- — CID 9158828

IUPAC2-[(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCc1cccc(C)c1NC(=O)[C@@H](C)c1nc(C)c(C(=O)[O-])s1
InChIInChI=1S/C17H20N2O3S/c1-5-12-8-6-7-9(2)13(12)19-15(20)10(3)16-18-11(4)14(23-16)17(21)22/h6-8,10H,5H2,1-4H3,(H,19,20)(H,21,22)/p-1/t10-/m1/s1
InChIKeyXIQNZYASORGUJS-SNVBAGLBSA-M
MW331.42 g/mol
LogP2.43
Rot. Bonds5

About 2-[(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

2-[(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 9158828) has the molecular formula C17H19N2O3S- and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name2-[(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID9158828
Molecular FormulaC17H19N2O3S-
Molecular Weight331.42 g/mol
Exact Mass331.11
IUPAC Name2-[(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCc1cccc(C)c1NC(=O)[C@@H](C)c1nc(C)c(C(=O)[O-])s1
InChIInChI=1S/C17H20N2O3S/c1-5-12-8-6-7-9(2)13(12)19-15(20)10(3)16-18-11(4)14(23-16)17(21)22/h6-8,10H,5H2,1-4H3,(H,19,20)(H,21,22)/p-1/t10-/m1/s1
InChIKeyXIQNZYASORGUJS-SNVBAGLBSA-M
XLogP2.43
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

2-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 9158713
2-amino-N-(2-ethyl-6-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793049
2-[2-[(2S)-1-(2,6-diethylanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate
CID 9158264
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-ethyl-6-methylphenyl)oxamide
CID 108512119
4-methyl-2-(2-methyl-6-propan-2-ylanilino)-1,3-thiazole-5-carboxylate
CID 9154529
(2R)-2-amino-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide
CID 79011736
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
5-(2-ethyl-6-methylanilino)-4-methyl-5-oxopentanoic acid
CID 112517138
(E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide
CID 17407260
N-(2-ethyl-6-methylphenyl)-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide
CID 18154999
(2R)-2-amino-N-(2-ethyl-6-methylphenyl)-2-phenylacetamide
CID 61148140
5-(2-ethyl-6-methylanilino)-5-oxopentanoate
CID 4740094

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of 2-[(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate (CID 9158828) is 2-[(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 2-[(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for 2-[(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate is CCc1cccc(C)c1NC(=O)[C@@H](C)c1nc(C)c(C(=O)[O-])s1.
What is the InChIKey of 2-[(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is XIQNZYASORGUJS-SNVBAGLBSA-M. The full InChI is InChI=1S/C17H20N2O3S/c1-5-12-8-6-7-9(2)13(12)19-15(20)10(3)16-18-11(4)14(23-16)17(21)22/h6-8,10H,5H2,1-4H3,(H,19,20)(H,21,22)/p-1/t10-/m1/s1.
What are the key properties of 2-[(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?
2-[(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 331.42 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 9158828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).