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

C20H19N3O2S — CID 68727023

IUPACN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c(-c2ccccc2)s1
InChIInChI=1S/C20H19N3O2S/c1-13-22-17(18(26-13)15-10-6-3-7-11-15)20(25)23-16(19(21)24)12-14-8-4-2-5-9-14/h2-11,16H,12H2,1H3,(H2,21,24)(H,23,25)/t16-/m0/s1
InChIKeyDVWLRLIGWXZBLF-INIZCTEOSA-N
MW365.46 g/mol
LogP2.94
Rot. Bonds6

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

N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 68727023) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
PubChem CID68727023
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c(-c2ccccc2)s1
InChIInChI=1S/C20H19N3O2S/c1-13-22-17(18(26-13)15-10-6-3-7-11-15)20(25)23-16(19(21)24)12-14-8-4-2-5-9-14/h2-11,16H,12H2,1H3,(H2,21,24)(H,23,25)/t16-/m0/s1
InChIKeyDVWLRLIGWXZBLF-INIZCTEOSA-N
XLogP2.94
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68727128
N-(1-amino-4-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68726589
2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-3-phenylpropanoic acid
CID 120512144
5-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]thiophene-2-carboxylic acid
CID 146128298
N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68724081
N-[(2S)-1-amino-4-methylpentan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68724998
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 134397788
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 142753650
N-[(2S)-1-(1-benzofuran-4-carbonylamino)-3-phenylpropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 67449613
6-methyl-N-[2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]-3-phenylpropyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25189907
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide
CID 131889440
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 110648795

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide (CID 68727023) is N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c(-c2ccccc2)s1.
What is the InChIKey of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is DVWLRLIGWXZBLF-INIZCTEOSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-13-22-17(18(26-13)15-10-6-3-7-11-15)20(25)23-16(19(21)24)12-14-8-4-2-5-9-14/h2-11,16H,12H2,1H3,(H2,21,24)(H,23,25)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 68727023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).