N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-2,6-dimethylbenzamide

C27H26N4O2S — CID 5272312

IUPACN-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)N(CC(=O)Nc1ccc(-c2csc(N)n2)cc1)Cc1ccccc1
InChIInChI=1S/C27H26N4O2S/c1-18-7-6-8-19(2)25(18)26(33)31(15-20-9-4-3-5-10-20)16-24(32)29-22-13-11-21(12-14-22)23-17-34-27(28)30-23/h3-14,17H,15-16H2,1-2H3,(H2,28,30)(H,29,32)
InChIKeyPWQPEPFCLVHXDB-UHFFFAOYSA-N
MW470.60 g/mol
LogP5.29
Rot. Bonds7

About N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-2,6-dimethylbenzamide

N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-2,6-dimethylbenzamide (PubChem CID 5272312) has the molecular formula C27H26N4O2S and a molecular weight of 470.60 g/mol. Its IUPAC name is N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-2,6-dimethylbenzamide
PubChem CID5272312
Molecular FormulaC27H26N4O2S
Molecular Weight470.60 g/mol
Exact Mass470.18
IUPAC NameN-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)N(CC(=O)Nc1ccc(-c2csc(N)n2)cc1)Cc1ccccc1
InChIInChI=1S/C27H26N4O2S/c1-18-7-6-8-19(2)25(18)26(33)31(15-20-9-4-3-5-10-20)16-24(32)29-22-13-11-21(12-14-22)23-17-34-27(28)30-23/h3-14,17H,15-16H2,1-2H3,(H2,28,30)(H,29,32)
InChIKeyPWQPEPFCLVHXDB-UHFFFAOYSA-N
XLogP5.29
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.60
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzylcyclopentanecarboxamide
CID 5272322
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[[2-(2,6-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]acetamide
CID 5272413
tert-butyl N-[3-[4-(2-amino-1,3-thiazol-4-yl)anilino]-3-oxopropyl]-N-benzylcarbamate
CID 5272472
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 5272445
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide
CID 28865127
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide
CID 896768
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-[benzyl(pyridin-2-ylmethyl)amino]propanamide
CID 5272483
2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-phenylacetamide
CID 28856207
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-phenylacetamide
CID 28865111
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide
CID 2978695
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,1-dioxothiane-4-carboxamide;hydrochloride
CID 10325222
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide
CID 5272333

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-2,6-dimethylbenzamide?
The IUPAC name of N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-2,6-dimethylbenzamide (CID 5272312) is N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-2,6-dimethylbenzamide.
What is the SMILES notation for N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-2,6-dimethylbenzamide?
The canonical SMILES for N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-2,6-dimethylbenzamide is Cc1cccc(C)c1C(=O)N(CC(=O)Nc1ccc(-c2csc(N)n2)cc1)Cc1ccccc1.
What is the InChIKey of N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-2,6-dimethylbenzamide?
The InChIKey is PWQPEPFCLVHXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2S/c1-18-7-6-8-19(2)25(18)26(33)31(15-20-9-4-3-5-10-20)16-24(32)29-22-13-11-21(12-14-22)23-17-34-27(28)30-23/h3-14,17H,15-16H2,1-2H3,(H2,28,30)(H,29,32).
What are the key properties of N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-2,6-dimethylbenzamide?
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-2,6-dimethylbenzamide has a molecular weight of 470.60 g/mol, XLogP of 5.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-2,6-dimethylbenzamide is sourced from PubChem (CID 5272312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).