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

C24H27N5O2S — CID 5272333

IUPACN-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide
SMILESNc1nc(-c2ccc(NC(=O)CN(Cc3ccccn3)C(=O)C3CCCCC3)cc2)cs1
InChIInChI=1S/C24H27N5O2S/c25-24-28-21(16-32-24)17-9-11-19(12-10-17)27-22(30)15-29(14-20-8-4-5-13-26-20)23(31)18-6-2-1-3-7-18/h4-5,8-13,16,18H,1-3,6-7,14-15H2,(H2,25,28)(H,27,30)
InChIKeyUQHZJWZCIRJDAP-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.33
Rot. Bonds7

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

N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide (PubChem CID 5272333) has the molecular formula C24H27N5O2S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide
PubChem CID5272333
Molecular FormulaC24H27N5O2S
Molecular Weight449.58 g/mol
Exact Mass449.19
IUPAC NameN-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide
SMILESNc1nc(-c2ccc(NC(=O)CN(Cc3ccccn3)C(=O)C3CCCCC3)cc2)cs1
InChIInChI=1S/C24H27N5O2S/c25-24-28-21(16-32-24)17-9-11-19(12-10-17)27-22(30)15-29(14-20-8-4-5-13-26-20)23(31)18-6-2-1-3-7-18/h4-5,8-13,16,18H,1-3,6-7,14-15H2,(H2,25,28)(H,27,30)
InChIKeyUQHZJWZCIRJDAP-UHFFFAOYSA-N
XLogP4.33
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzylcyclopentanecarboxamide
CID 5272322
N-benzyl-N-[2-oxo-2-[4-(1,3-thiazol-4-yl)anilino]ethyl]cyclohexanecarboxamide
CID 5272491
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)-N-methylanilino]-2-oxoethyl]-N-benzylcyclohexanecarboxamide
CID 5272247
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylacetamide
CID 5272419
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-2,6-dimethylbenzamide
CID 5272312
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-[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]-2-[[2-(2,6-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]acetamide
CID 5272413
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-[cyclohexylmethyl(morpholin-4-ylsulfonyl)amino]acetamide
CID 5272391

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide?
The IUPAC name of N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide (CID 5272333) is N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide?
The canonical SMILES for N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide is Nc1nc(-c2ccc(NC(=O)CN(Cc3ccccn3)C(=O)C3CCCCC3)cc2)cs1.
What is the InChIKey of N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide?
The InChIKey is UQHZJWZCIRJDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S/c25-24-28-21(16-32-24)17-9-11-19(12-10-17)27-22(30)15-29(14-20-8-4-5-13-26-20)23(31)18-6-2-1-3-7-18/h4-5,8-13,16,18H,1-3,6-7,14-15H2,(H2,25,28)(H,27,30).
What are the key properties of N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide?
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide has a molecular weight of 449.58 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 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-(pyridin-2-ylmethyl)cyclohexanecarboxamide is sourced from PubChem (CID 5272333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).