N-[[2-[(3-methoxyphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine

C16H22N2O2S — CID 82193630

IUPACN-[[2-[(3-methoxyphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCOc1cccc(OCc2nc(C)c(CNC(C)C)s2)c1
InChIInChI=1S/C16H22N2O2S/c1-11(2)17-9-15-12(3)18-16(21-15)10-20-14-7-5-6-13(8-14)19-4/h5-8,11,17H,9-10H2,1-4H3
InChIKeyNCBMGMCKEPAFRF-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.54
Rot. Bonds7

About N-[[2-[(3-methoxyphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[2-[(3-methoxyphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 82193630) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[[2-[(3-methoxyphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(3-methoxyphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID82193630
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-[[2-[(3-methoxyphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCOc1cccc(OCc2nc(C)c(CNC(C)C)s2)c1
InChIInChI=1S/C16H22N2O2S/c1-11(2)17-9-15-12(3)18-16(21-15)10-20-14-7-5-6-13(8-14)19-4/h5-8,11,17H,9-10H2,1-4H3
InChIKeyNCBMGMCKEPAFRF-UHFFFAOYSA-N
XLogP3.54
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-ethyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82428819
N-[[4-methyl-2-(phenoxymethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82425948
N-[[2-[(2,4-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82193598
N-[[5-(3-methoxyphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80623316
ethyl 2-[(3-methoxyphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 53263563
[4-(methoxymethyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82440577
N-[[4-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 62288971
2-[(3-methoxyphenoxy)methyl]-5-methyl-1,3-thiazole
CID 117188251
N-[[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62402343
N-[[4-methyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62402342
[2-[(3-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82134233
N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 24714844

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-methoxyphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(3-methoxyphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 82193630) is N-[[2-[(3-methoxyphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(3-methoxyphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(3-methoxyphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine is COc1cccc(OCc2nc(C)c(CNC(C)C)s2)c1.
What is the InChIKey of N-[[2-[(3-methoxyphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is NCBMGMCKEPAFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-11(2)17-9-15-12(3)18-16(21-15)10-20-14-7-5-6-13(8-14)19-4/h5-8,11,17H,9-10H2,1-4H3.
What are the key properties of N-[[2-[(3-methoxyphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-[(3-methoxyphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 306.43 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-methoxyphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 82193630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).