N-[2-[4-(2-amino-1,3-thiazol-4-yl)-N-methylanilino]-2-oxoethyl]-N-benzylcyclohexanecarboxamide

C26H30N4O2S — CID 5272247

IUPACN-[2-[4-(2-amino-1,3-thiazol-4-yl)-N-methylanilino]-2-oxoethyl]-N-benzylcyclohexanecarboxamide
SMILESCN(C(=O)CN(Cc1ccccc1)C(=O)C1CCCCC1)c1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C26H30N4O2S/c1-29(22-14-12-20(13-15-22)23-18-33-26(27)28-23)24(31)17-30(16-19-8-4-2-5-9-19)25(32)21-10-6-3-7-11-21/h2,4-5,8-9,12-15,18,21H,3,6-7,10-11,16-17H2,1H3,(H2,27,28)
InChIKeyRMWWXSRFFLBYGK-UHFFFAOYSA-N
MW462.62 g/mol
LogP4.96
Rot. Bonds7

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

N-[2-[4-(2-amino-1,3-thiazol-4-yl)-N-methylanilino]-2-oxoethyl]-N-benzylcyclohexanecarboxamide (PubChem CID 5272247) has the molecular formula C26H30N4O2S and a molecular weight of 462.62 g/mol. Its IUPAC name is N-[2-[4-(2-amino-1,3-thiazol-4-yl)-N-methylanilino]-2-oxoethyl]-N-benzylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-amino-1,3-thiazol-4-yl)-N-methylanilino]-2-oxoethyl]-N-benzylcyclohexanecarboxamide
PubChem CID5272247
Molecular FormulaC26H30N4O2S
Molecular Weight462.62 g/mol
Exact Mass462.21
IUPAC NameN-[2-[4-(2-amino-1,3-thiazol-4-yl)-N-methylanilino]-2-oxoethyl]-N-benzylcyclohexanecarboxamide
SMILESCN(C(=O)CN(Cc1ccccc1)C(=O)C1CCCCC1)c1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C26H30N4O2S/c1-29(22-14-12-20(13-15-22)23-18-33-26(27)28-23)24(31)17-30(16-19-8-4-2-5-9-19)25(32)21-10-6-3-7-11-21/h2,4-5,8-9,12-15,18,21H,3,6-7,10-11,16-17H2,1H3,(H2,27,28)
InChIKeyRMWWXSRFFLBYGK-UHFFFAOYSA-N
XLogP4.96
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 54.96
H-Bond Donors ≤ 51
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-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide
CID 5272333
N,N-dibenzylcyclohexanecarboxamide
CID 1371794
N-benzyl-N-[2-oxo-2-[4-(1,3-thiazol-4-yl)anilino]ethyl]cyclohexanecarboxamide
CID 5272491
N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
CID 62585571
N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3173507
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-2,6-dimethylbenzamide
CID 5272312
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylcyclohexanecarboxamide
CID 1175967
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
N-benzyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclopentanecarboxamide
CID 42697729
4-(2-amino-1,3-thiazol-4-yl)-N-[2-[benzyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)benzamide
CID 5272594
N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutanecarboxamide
CID 78811308

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-amino-1,3-thiazol-4-yl)-N-methylanilino]-2-oxoethyl]-N-benzylcyclohexanecarboxamide?
The IUPAC name of N-[2-[4-(2-amino-1,3-thiazol-4-yl)-N-methylanilino]-2-oxoethyl]-N-benzylcyclohexanecarboxamide (CID 5272247) is N-[2-[4-(2-amino-1,3-thiazol-4-yl)-N-methylanilino]-2-oxoethyl]-N-benzylcyclohexanecarboxamide.
What is the SMILES notation for N-[2-[4-(2-amino-1,3-thiazol-4-yl)-N-methylanilino]-2-oxoethyl]-N-benzylcyclohexanecarboxamide?
The canonical SMILES for N-[2-[4-(2-amino-1,3-thiazol-4-yl)-N-methylanilino]-2-oxoethyl]-N-benzylcyclohexanecarboxamide is CN(C(=O)CN(Cc1ccccc1)C(=O)C1CCCCC1)c1ccc(-c2csc(N)n2)cc1.
What is the InChIKey of N-[2-[4-(2-amino-1,3-thiazol-4-yl)-N-methylanilino]-2-oxoethyl]-N-benzylcyclohexanecarboxamide?
The InChIKey is RMWWXSRFFLBYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2S/c1-29(22-14-12-20(13-15-22)23-18-33-26(27)28-23)24(31)17-30(16-19-8-4-2-5-9-19)25(32)21-10-6-3-7-11-21/h2,4-5,8-9,12-15,18,21H,3,6-7,10-11,16-17H2,1H3,(H2,27,28).
What are the key properties of N-[2-[4-(2-amino-1,3-thiazol-4-yl)-N-methylanilino]-2-oxoethyl]-N-benzylcyclohexanecarboxamide?
N-[2-[4-(2-amino-1,3-thiazol-4-yl)-N-methylanilino]-2-oxoethyl]-N-benzylcyclohexanecarboxamide has a molecular weight of 462.62 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 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)-N-methylanilino]-2-oxoethyl]-N-benzylcyclohexanecarboxamide is sourced from PubChem (CID 5272247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).