N-[4-(2-amino-2-oxoethyl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide

C21H21N3O2S — CID 31861373

IUPACN-[4-(2-amino-2-oxoethyl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)c1ccc(-c2nc(C(=O)Nc3ccc(CC(N)=O)cc3)cs2)cc1
InChIInChI=1S/C21H21N3O2S/c1-13(2)15-5-7-16(8-6-15)21-24-18(12-27-21)20(26)23-17-9-3-14(4-10-17)11-19(22)25/h3-10,12-13H,11H2,1-2H3,(H2,22,25)(H,23,26)
InChIKeyPKJLMTWAYKWZHQ-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.21
Rot. Bonds6

About N-[4-(2-amino-2-oxoethyl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide

N-[4-(2-amino-2-oxoethyl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 31861373) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID31861373
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-[4-(2-amino-2-oxoethyl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)c1ccc(-c2nc(C(=O)Nc3ccc(CC(N)=O)cc3)cs2)cc1
InChIInChI=1S/C21H21N3O2S/c1-13(2)15-5-7-16(8-6-15)21-24-18(12-27-21)20(26)23-17-9-3-14(4-10-17)11-19(22)25/h3-10,12-13H,11H2,1-2H3,(H2,22,25)(H,23,26)
InChIKeyPKJLMTWAYKWZHQ-UHFFFAOYSA-N
XLogP4.21
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-amino-2-oxoethyl)phenyl]-2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 51122885
ethyl 2-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 55555267
2-(4-methylphenyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55865804
ethyl N-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]carbamate
CID 36759343
N-methylsulfonyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 146154242
2-(3,4-dimethoxyphenyl)-N-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 9078146
N-(1-methylpyrazol-3-yl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 36749788
2-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 26467798
N-(2-fluoro-3-hydroxypropyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 155969715
2-[4-[(2-amino-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid
CID 62786875
N-(3-methyl-1,2,4-triazol-4-yl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 155959659
N-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 46479944

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide (CID 31861373) is N-[4-(2-amino-2-oxoethyl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide is CC(C)c1ccc(-c2nc(C(=O)Nc3ccc(CC(N)=O)cc3)cs2)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is PKJLMTWAYKWZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-13(2)15-5-7-16(8-6-15)21-24-18(12-27-21)20(26)23-17-9-3-14(4-10-17)11-19(22)25/h3-10,12-13H,11H2,1-2H3,(H2,22,25)(H,23,26).
What are the key properties of N-[4-(2-amino-2-oxoethyl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide?
N-[4-(2-amino-2-oxoethyl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 31861373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).