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

C18H22N2O2S — CID 24714431

IUPACN-cyclopropyl-N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
SMILESCC(=O)N(Cc1csc(COc2ccc(C)c(C)c2)n1)C1CC1
InChIInChI=1S/C18H22N2O2S/c1-12-4-7-17(8-13(12)2)22-10-18-19-15(11-23-18)9-20(14(3)21)16-5-6-16/h4,7-8,11,16H,5-6,9-10H2,1-3H3
InChIKeyGCBWWPWGMKLXCW-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.85
Rot. Bonds6

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

N-cyclopropyl-N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide (PubChem CID 24714431) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-cyclopropyl-N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
PubChem CID24714431
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-cyclopropyl-N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
SMILESCC(=O)N(Cc1csc(COc2ccc(C)c(C)c2)n1)C1CC1
InChIInChI=1S/C18H22N2O2S/c1-12-4-7-17(8-13(12)2)22-10-18-19-15(11-23-18)9-20(14(3)21)16-5-6-16/h4,7-8,11,16H,5-6,9-10H2,1-3H3
InChIKeyGCBWWPWGMKLXCW-UHFFFAOYSA-N
XLogP3.85
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)acetamide
CID 42837395
1-cyclopropyl-3-ethyl-1-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]urea
CID 24714685
N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropanamide
CID 42837404
2-[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 7745392
N-cyclopropyl-3-methyl-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 42682443
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-cyclopropylpropanamide
CID 46008391
1-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-ethyl-1-prop-2-enylurea
CID 46009691
N-cyclopropyl-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide
CID 46008283
N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-propan-2-ylbenzamide
CID 42837405
N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 46008919
4-chloro-N-cyclopropyl-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008779
N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(3-methoxypropyl)-3-methylbutanamide
CID 46008982

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide?
The IUPAC name of N-cyclopropyl-N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide (CID 24714431) is N-cyclopropyl-N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide is CC(=O)N(Cc1csc(COc2ccc(C)c(C)c2)n1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide?
The InChIKey is GCBWWPWGMKLXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-12-4-7-17(8-13(12)2)22-10-18-19-15(11-23-18)9-20(14(3)21)16-5-6-16/h4,7-8,11,16H,5-6,9-10H2,1-3H3.
What are the key properties of N-cyclopropyl-N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide?
N-cyclopropyl-N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide has a molecular weight of 330.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide is sourced from PubChem (CID 24714431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).