N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide

C21H21N3O2S — CID 68724081

IUPACN-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(C)[C@H](Cc2ccccc2)C(N)=O)c(-c2ccccc2)s1
InChIInChI=1S/C21H21N3O2S/c1-14-23-18(19(27-14)16-11-7-4-8-12-16)21(26)24(2)17(20(22)25)13-15-9-5-3-6-10-15/h3-12,17H,13H2,1-2H3,(H2,22,25)/t17-/m1/s1
InChIKeyIZYLCRRWASHHHC-QGZVFWFLSA-N
MW379.49 g/mol
LogP3.29
Rot. Bonds6

About N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide

N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 68724081) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide
PubChem CID68724081
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(C)[C@H](Cc2ccccc2)C(N)=O)c(-c2ccccc2)s1
InChIInChI=1S/C21H21N3O2S/c1-14-23-18(19(27-14)16-11-7-4-8-12-16)21(26)24(2)17(20(22)25)13-15-9-5-3-6-10-15/h3-12,17H,13H2,1-2H3,(H2,22,25)/t17-/m1/s1
InChIKeyIZYLCRRWASHHHC-QGZVFWFLSA-N
XLogP3.29
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68727023
6-methyl-N-[2-[methyl-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]-3-phenylpropyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25189856
ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride
CID 112758002
N-(2-aminoethyl)-N-benzyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 68727708
[4-methyl-2-[methyl-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]pentyl] 1,3-thiazole-5-carboxylate
CID 174597140
2-methyl-5-[4-(2-methylpropyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106510621
N-[(2S)-1-aminopropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68727128
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 110648795
N-(1-amino-4-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68726589
2-[methyl(propan-2-yl)amino]-3-phenylpropanamide
CID 69053477
(2R)-2-acetamido-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 38359873
2-[(2-chloro-4-methyl-1,3-thiazole-5-carbonyl)-methylamino]-3-phenylpropanoic acid
CID 166317439

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide (CID 68724081) is N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N(C)[C@H](Cc2ccccc2)C(N)=O)c(-c2ccccc2)s1.
What is the InChIKey of N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is IZYLCRRWASHHHC-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-14-23-18(19(27-14)16-11-7-4-8-12-16)21(26)24(2)17(20(22)25)13-15-9-5-3-6-10-15/h3-12,17H,13H2,1-2H3,(H2,22,25)/t17-/m1/s1.
What are the key properties of N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide?
N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 68724081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).