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

C22H28N2O2S — CID 46008283

IUPACN-cyclopropyl-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide
SMILESCc1cc(C)cc(OCc2nc(CN(C(=O)C3CCCC3)C3CC3)cs2)c1
InChIInChI=1S/C22H28N2O2S/c1-15-9-16(2)11-20(10-15)26-13-21-23-18(14-27-21)12-24(19-7-8-19)22(25)17-5-3-4-6-17/h9-11,14,17,19H,3-8,12-13H2,1-2H3
InChIKeyVWIYUHULCUFOEJ-UHFFFAOYSA-N
MW384.55 g/mol
LogP5.02
Rot. Bonds7

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

N-cyclopropyl-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide (PubChem CID 46008283) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is N-cyclopropyl-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide
PubChem CID46008283
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC NameN-cyclopropyl-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide
SMILESCc1cc(C)cc(OCc2nc(CN(C(=O)C3CCCC3)C3CC3)cs2)c1
InChIInChI=1S/C22H28N2O2S/c1-15-9-16(2)11-20(10-15)26-13-21-23-18(14-27-21)12-24(19-7-8-19)22(25)17-5-3-4-6-17/h9-11,14,17,19H,3-8,12-13H2,1-2H3
InChIKeyVWIYUHULCUFOEJ-UHFFFAOYSA-N
XLogP5.02
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.55
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
CID 93165127
N-[(2S)-butan-2-yl]-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide
CID 93165882
N-cyclopropyl-3-methyl-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 42682443
N-cyclopropyl-N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 24714431
1-cyclopropyl-3-ethyl-1-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]urea
CID 24714685
4-chloro-N-cyclopropyl-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008779
N-[(2R)-butan-2-yl]-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide
CID 93165236
N-butan-2-yl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide
CID 42837469
N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 93165112
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-cyclopropylpropanamide
CID 46008391
N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propylcyclopentanecarboxamide
CID 46009128
N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxyacetamide
CID 93165138

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-cyclopropyl-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide (CID 46008283) is N-cyclopropyl-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-cyclopropyl-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide is Cc1cc(C)cc(OCc2nc(CN(C(=O)C3CCCC3)C3CC3)cs2)c1.
What is the InChIKey of N-cyclopropyl-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide?
The InChIKey is VWIYUHULCUFOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-15-9-16(2)11-20(10-15)26-13-21-23-18(14-27-21)12-24(19-7-8-19)22(25)17-5-3-4-6-17/h9-11,14,17,19H,3-8,12-13H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide?
N-cyclopropyl-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide has a molecular weight of 384.55 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 46008283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).