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

C24H26N4O2S — CID 5272322

IUPACN-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzylcyclopentanecarboxamide
SMILESNc1nc(-c2ccc(NC(=O)CN(Cc3ccccc3)C(=O)C3CCCC3)cc2)cs1
InChIInChI=1S/C24H26N4O2S/c25-24-27-21(16-31-24)18-10-12-20(13-11-18)26-22(29)15-28(14-17-6-2-1-3-7-17)23(30)19-8-4-5-9-19/h1-3,6-7,10-13,16,19H,4-5,8-9,14-15H2,(H2,25,27)(H,26,29)
InChIKeyTYUOMPGEHUQVNU-UHFFFAOYSA-N
MW434.57 g/mol
LogP4.55
Rot. Bonds7

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

N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzylcyclopentanecarboxamide (PubChem CID 5272322) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzylcyclopentanecarboxamide
PubChem CID5272322
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC NameN-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzylcyclopentanecarboxamide
SMILESNc1nc(-c2ccc(NC(=O)CN(Cc3ccccc3)C(=O)C3CCCC3)cc2)cs1
InChIInChI=1S/C24H26N4O2S/c25-24-27-21(16-31-24)18-10-12-20(13-11-18)26-22(29)15-28(14-17-6-2-1-3-7-17)23(30)19-8-4-5-9-19/h1-3,6-7,10-13,16,19H,4-5,8-9,14-15H2,(H2,25,27)(H,26,29)
InChIKeyTYUOMPGEHUQVNU-UHFFFAOYSA-N
XLogP4.55
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.55
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-(pyridin-2-ylmethyl)cyclohexanecarboxamide
CID 5272333
N-benzyl-N-[2-oxo-2-[4-(1,3-thiazol-4-yl)anilino]ethyl]cyclohexanecarboxamide
CID 5272491
N-[2-[4-(2-amino-1,3-thiazol-4-yl)-N-methylanilino]-2-oxoethyl]-N-benzylcyclohexanecarboxamide
CID 5272247
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-2,6-dimethylbenzamide
CID 5272312
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide
CID 28865127
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-(2,3-dimethylphenyl)-1,1-dioxothiane-4-carboxamide;hydrochloride
CID 10325222
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-[benzyl(pyridin-2-ylmethyl)amino]propanamide
CID 5272483
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(3,5-dimethylphenyl)-1,1-dioxothiane-4-carboxamide
CID 10076210
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide
CID 896768
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[[2-(2,6-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]acetamide
CID 5272413
N,N-dibenzylcyclohexanecarboxamide
CID 1371794

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzylcyclopentanecarboxamide?
The IUPAC name of N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzylcyclopentanecarboxamide (CID 5272322) is N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzylcyclopentanecarboxamide.
What is the SMILES notation for N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzylcyclopentanecarboxamide?
The canonical SMILES for N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzylcyclopentanecarboxamide is Nc1nc(-c2ccc(NC(=O)CN(Cc3ccccc3)C(=O)C3CCCC3)cc2)cs1.
What is the InChIKey of N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzylcyclopentanecarboxamide?
The InChIKey is TYUOMPGEHUQVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c25-24-27-21(16-31-24)18-10-12-20(13-11-18)26-22(29)15-28(14-17-6-2-1-3-7-17)23(30)19-8-4-5-9-19/h1-3,6-7,10-13,16,19H,4-5,8-9,14-15H2,(H2,25,27)(H,26,29).
What are the key properties of N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzylcyclopentanecarboxamide?
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzylcyclopentanecarboxamide has a molecular weight of 434.57 g/mol, XLogP of 4.55, 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-benzylcyclopentanecarboxamide is sourced from PubChem (CID 5272322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).