N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)propanamide

C19H26N2O2S — CID 46009379

IUPACN-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)propanamide
SMILESCCC(=O)N(Cc1csc(COc2ccccc2C)n1)CC(C)C
InChIInChI=1S/C19H26N2O2S/c1-5-19(22)21(10-14(2)3)11-16-13-24-18(20-16)12-23-17-9-7-6-8-15(17)4/h6-9,13-14H,5,10-12H2,1-4H3
InChIKeyDQOFRMKHMXTWQE-UHFFFAOYSA-N
MW346.50 g/mol
LogP4.43
Rot. Bonds8

About N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)propanamide

N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)propanamide (PubChem CID 46009379) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound NameN-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)propanamide
PubChem CID46009379
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC NameN-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)propanamide
SMILESCCC(=O)N(Cc1csc(COc2ccccc2C)n1)CC(C)C
InChIInChI=1S/C19H26N2O2S/c1-5-19(22)21(10-14(2)3)11-16-13-24-18(20-16)12-23-17-9-7-6-8-15(17)4/h6-9,13-14H,5,10-12H2,1-4H3
InChIKeyDQOFRMKHMXTWQE-UHFFFAOYSA-N
XLogP4.43
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)acetamide
CID 24714416
N-butan-2-yl-2-methyl-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46009415
2-methyl-N-(2-methylpropyl)-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008524
1-butan-2-yl-3-tert-butyl-1-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]urea
CID 46009736
1-[(2R)-butan-2-yl]-1-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-propan-2-ylurea
CID 93166017
N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 42837392
1-(2-methylpropyl)-1-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylurea
CID 46009747
N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 46008653
N-[(2S)-butan-2-yl]-4-chloro-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 93165916
N-[(2R)-butan-2-yl]-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propanamide
CID 93165084
N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide
CID 46009131
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)acetamide
CID 24714429

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)propanamide?
The IUPAC name of N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)propanamide (CID 46009379) is N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)propanamide is CCC(=O)N(Cc1csc(COc2ccccc2C)n1)CC(C)C.
What is the InChIKey of N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)propanamide?
The InChIKey is DQOFRMKHMXTWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-5-19(22)21(10-14(2)3)11-16-13-24-18(20-16)12-23-17-9-7-6-8-15(17)4/h6-9,13-14H,5,10-12H2,1-4H3.
What are the key properties of N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)propanamide?
N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)propanamide has a molecular weight of 346.50 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 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-methylpropyl)propanamide is sourced from PubChem (CID 46009379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).