N-[(2R)-butan-2-yl]-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide

C24H34N2O2S — CID 93165236

IUPACN-[(2R)-butan-2-yl]-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide
SMILESCC[C@@H](C)N(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)C1CCCC1
InChIInChI=1S/C24H34N2O2S/c1-6-18(4)26(24(27)20-9-7-8-10-20)13-21-15-29-23(25-21)14-28-22-12-16(2)11-17(3)19(22)5/h11-12,15,18,20H,6-10,13-14H2,1-5H3/t18-/m1/s1
InChIKeyKLAWYSXXIHERHL-GOSISDBHSA-N
MW414.62 g/mol
LogP5.96
Rot. Bonds8

About N-[(2R)-butan-2-yl]-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide

N-[(2R)-butan-2-yl]-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide (PubChem CID 93165236) has the molecular formula C24H34N2O2S and a molecular weight of 414.62 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide
PubChem CID93165236
Molecular FormulaC24H34N2O2S
Molecular Weight414.62 g/mol
Exact Mass414.23
IUPAC NameN-[(2R)-butan-2-yl]-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide
SMILESCC[C@@H](C)N(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)C1CCCC1
InChIInChI=1S/C24H34N2O2S/c1-6-18(4)26(24(27)20-9-7-8-10-20)13-21-15-29-23(25-21)14-28-22-12-16(2)11-17(3)19(22)5/h11-12,15,18,20H,6-10,13-14H2,1-5H3/t18-/m1/s1
InChIKeyKLAWYSXXIHERHL-GOSISDBHSA-N
XLogP5.96
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.62
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide
CID 93165882
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]-4-chloro-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 93165239
N-butan-2-yl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide
CID 42837469
N-[(2R)-butan-2-yl]-2-methoxy-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 93165250
3-methyl-N-propan-2-yl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008551
N,3-dimethyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]butanamide
CID 46008647
N-[(2S)-butan-2-yl]-N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
CID 93165952
2-fluoro-N-propan-2-yl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008543
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]acetamide
CID 93165112
N-cyclopropyl-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide
CID 46008283

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide (CID 93165236) is N-[(2R)-butan-2-yl]-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide is CC[C@@H](C)N(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)C1CCCC1.
What is the InChIKey of N-[(2R)-butan-2-yl]-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide?
The InChIKey is KLAWYSXXIHERHL-GOSISDBHSA-N. The full InChI is InChI=1S/C24H34N2O2S/c1-6-18(4)26(24(27)20-9-7-8-10-20)13-21-15-29-23(25-21)14-28-22-12-16(2)11-17(3)19(22)5/h11-12,15,18,20H,6-10,13-14H2,1-5H3/t18-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide?
N-[(2R)-butan-2-yl]-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide has a molecular weight of 414.62 g/mol, XLogP of 5.96, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 93165236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).