N-[(2R)-4-amino-4-oxobutan-2-yl]-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide

C16H19N3O2S — CID 95778148

IUPACN-[(2R)-4-amino-4-oxobutan-2-yl]-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)N[C@H](C)CC(N)=O)cs2)c(C)c1
InChIInChI=1S/C16H19N3O2S/c1-9-4-5-12(10(2)6-9)16-19-13(8-22-16)15(21)18-11(3)7-14(17)20/h4-6,8,11H,7H2,1-3H3,(H2,17,20)(H,18,21)/t11-/m1/s1
InChIKeyMNSGEHIHWIBFLH-LLVKDONJSA-N
MW317.41 g/mol
LogP2.42
Rot. Bonds5

About N-[(2R)-4-amino-4-oxobutan-2-yl]-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide

N-[(2R)-4-amino-4-oxobutan-2-yl]-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 95778148) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[(2R)-4-amino-4-oxobutan-2-yl]-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-4-amino-4-oxobutan-2-yl]-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID95778148
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[(2R)-4-amino-4-oxobutan-2-yl]-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)N[C@H](C)CC(N)=O)cs2)c(C)c1
InChIInChI=1S/C16H19N3O2S/c1-9-4-5-12(10(2)6-9)16-19-13(8-22-16)15(21)18-11(3)7-14(17)20/h4-6,8,11H,7H2,1-3H3,(H2,17,20)(H,18,21)/t11-/m1/s1
InChIKeyMNSGEHIHWIBFLH-LLVKDONJSA-N
XLogP2.42
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(4-amino-4-oxobutan-2-yl)-1,3-thiazole-4-carboxamide
CID 115740649
N-(3-carbamoylphenyl)-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 86867681
2-(2,4-dimethylphenyl)-N-(4-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide
CID 110909676
4-amino-N-(4-amino-4-oxobutan-2-yl)-3-methylbenzamide
CID 113269006
2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 116891955
N-(4-amino-4-oxobutan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide
CID 114220456
(2S)-3-methyl-2-[[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 119360719
4-amino-N-(4-amino-4-oxobutan-2-yl)quinoline-2-carboxamide
CID 115751990
2-amino-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 62786815
N-[(2S)-1-aminopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 131019261
2-(2,4-dimethylphenyl)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide
CID 56522430
N-(4-amino-4-oxobutan-2-yl)-4-fluoro-3-methylbenzamide
CID 115649751

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-amino-4-oxobutan-2-yl]-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2R)-4-amino-4-oxobutan-2-yl]-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide (CID 95778148) is N-[(2R)-4-amino-4-oxobutan-2-yl]-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-4-amino-4-oxobutan-2-yl]-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2R)-4-amino-4-oxobutan-2-yl]-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)N[C@H](C)CC(N)=O)cs2)c(C)c1.
What is the InChIKey of N-[(2R)-4-amino-4-oxobutan-2-yl]-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is MNSGEHIHWIBFLH-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-9-4-5-12(10(2)6-9)16-19-13(8-22-16)15(21)18-11(3)7-14(17)20/h4-6,8,11H,7H2,1-3H3,(H2,17,20)(H,18,21)/t11-/m1/s1.
What are the key properties of N-[(2R)-4-amino-4-oxobutan-2-yl]-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide?
N-[(2R)-4-amino-4-oxobutan-2-yl]-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-amino-4-oxobutan-2-yl]-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 95778148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).