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

C24H33N3O3S — CID 46009373

IUPACN-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide
SMILESCc1ccccc1OCc1nc(CN(CCN2CCOCC2)C(=O)C2CCCC2)cs1
InChIInChI=1S/C24H33N3O3S/c1-19-6-2-5-9-22(19)30-17-23-25-21(18-31-23)16-27(24(28)20-7-3-4-8-20)11-10-26-12-14-29-15-13-26/h2,5-6,9,18,20H,3-4,7-8,10-17H2,1H3
InChIKeyDVGFVMSXDYWPOP-UHFFFAOYSA-N
MW443.61 g/mol
LogP3.88
Rot. Bonds9

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

N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide (PubChem CID 46009373) has the molecular formula C24H33N3O3S and a molecular weight of 443.61 g/mol. Its IUPAC name is N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide
PubChem CID46009373
Molecular FormulaC24H33N3O3S
Molecular Weight443.61 g/mol
Exact Mass443.22
IUPAC NameN-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide
SMILESCc1ccccc1OCc1nc(CN(CCN2CCOCC2)C(=O)C2CCCC2)cs1
InChIInChI=1S/C24H33N3O3S/c1-19-6-2-5-9-22(19)30-17-23-25-21(18-31-23)16-27(24(28)20-7-3-4-8-20)11-10-26-12-14-29-15-13-26/h2,5-6,9,18,20H,3-4,7-8,10-17H2,1H3
InChIKeyDVGFVMSXDYWPOP-UHFFFAOYSA-N
XLogP3.88
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.61
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propylcyclopentanecarboxamide
CID 46009128
N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-piperidin-1-ylethyl)cyclopentanecarboxamide
CID 42837942
N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 46009473
2-methyl-N-(2-morpholin-4-ylethyl)-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propanamide
CID 46008507
3-methoxy-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42837369
3-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 42837286
N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 46008195
3-bromo-N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 46008910
N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-N-propylcyclopropanecarboxamide
CID 24714868
N-(2-piperidin-1-ylethyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]furan-2-carboxamide
CID 46150470
2-methoxy-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 42837458
3-methyl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 46009168

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide?
The IUPAC name of N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide (CID 46009373) is N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide.
What is the SMILES notation for N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide?
The canonical SMILES for N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide is Cc1ccccc1OCc1nc(CN(CCN2CCOCC2)C(=O)C2CCCC2)cs1.
What is the InChIKey of N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide?
The InChIKey is DVGFVMSXDYWPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3S/c1-19-6-2-5-9-22(19)30-17-23-25-21(18-31-23)16-27(24(28)20-7-3-4-8-20)11-10-26-12-14-29-15-13-26/h2,5-6,9,18,20H,3-4,7-8,10-17H2,1H3.
What are the key properties of N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide?
N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide has a molecular weight of 443.61 g/mol, XLogP of 3.88, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide is sourced from PubChem (CID 46009373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).