1-[3-methoxy-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine

C16H22N2O2S — CID 61487675

IUPAC1-[3-methoxy-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2csc(C(C)C)n2)c(OC)c1
InChIInChI=1S/C16H22N2O2S/c1-11(2)16-18-13(10-21-16)9-20-14-6-5-12(8-17-3)7-15(14)19-4/h5-7,10-11,17H,8-9H2,1-4H3
InChIKeyLTWZWWRUYGEUNZ-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.57
Rot. Bonds7

About 1-[3-methoxy-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine

1-[3-methoxy-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 61487675) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-[3-methoxy-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-methoxy-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
PubChem CID61487675
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-[3-methoxy-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2csc(C(C)C)n2)c(OC)c1
InChIInChI=1S/C16H22N2O2S/c1-11(2)16-18-13(10-21-16)9-20-14-6-5-12(8-17-3)7-15(14)19-4/h5-7,10-11,17H,8-9H2,1-4H3
InChIKeyLTWZWWRUYGEUNZ-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3,5-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 61487391
4-[(2-bromo-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 104704731
4-[(3-fluoro-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 86850292
N-methyl-1-[5-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 61487231
1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 4719426
1-[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 43278584
4-[(4-bromo-2-methylphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 63530798
1-[2-methoxy-4-(methylaminomethyl)phenoxy]propan-2-ol
CID 60881863
N-methyl-1-[3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine
CID 66356441
5-methoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 61037478
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111836200
N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 11622565

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-methoxy-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine (CID 61487675) is 1-[3-methoxy-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-methoxy-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-methoxy-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine is CNCc1ccc(OCc2csc(C(C)C)n2)c(OC)c1.
What is the InChIKey of 1-[3-methoxy-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is LTWZWWRUYGEUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-11(2)16-18-13(10-21-16)9-20-14-6-5-12(8-17-3)7-15(14)19-4/h5-7,10-11,17H,8-9H2,1-4H3.
What are the key properties of 1-[3-methoxy-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
1-[3-methoxy-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 306.43 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 61487675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).