N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide

C25H35N3O3S — CID 46008202

IUPACN-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide
SMILESCc1cc(C)cc(OCc2nc(CN(CCN3CCOCC3)C(=O)C3CCCC3)cs2)c1
InChIInChI=1S/C25H35N3O3S/c1-19-13-20(2)15-23(14-19)31-17-24-26-22(18-32-24)16-28(25(29)21-5-3-4-6-21)8-7-27-9-11-30-12-10-27/h13-15,18,21H,3-12,16-17H2,1-2H3
InChIKeyYRLOTTNXHYCKAG-UHFFFAOYSA-N
MW457.64 g/mol
LogP4.19
Rot. Bonds9

About N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide

N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide (PubChem CID 46008202) has the molecular formula C25H35N3O3S and a molecular weight of 457.64 g/mol. Its IUPAC name is N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide
PubChem CID46008202
Molecular FormulaC25H35N3O3S
Molecular Weight457.64 g/mol
Exact Mass457.24
IUPAC NameN-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide
SMILESCc1cc(C)cc(OCc2nc(CN(CCN3CCOCC3)C(=O)C3CCCC3)cs2)c1
InChIInChI=1S/C25H35N3O3S/c1-19-13-20(2)15-23(14-19)31-17-24-26-22(18-32-24)16-28(25(29)21-5-3-4-6-21)8-7-27-9-11-30-12-10-27/h13-15,18,21H,3-12,16-17H2,1-2H3
InChIKeyYRLOTTNXHYCKAG-UHFFFAOYSA-N
XLogP4.19
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.64
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide?
The IUPAC name of N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide (CID 46008202) is N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide.
What is the SMILES notation for N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide?
The canonical SMILES for N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide is Cc1cc(C)cc(OCc2nc(CN(CCN3CCOCC3)C(=O)C3CCCC3)cs2)c1.
What is the InChIKey of N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide?
The InChIKey is YRLOTTNXHYCKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3S/c1-19-13-20(2)15-23(14-19)31-17-24-26-22(18-32-24)16-28(25(29)21-5-3-4-6-21)8-7-27-9-11-30-12-10-27/h13-15,18,21H,3-12,16-17H2,1-2H3.
What are the key properties of N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide?
N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide has a molecular weight of 457.64 g/mol, XLogP of 4.19, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide is sourced from PubChem (CID 46008202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).