1-[5-methoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine

C16H22N2O2S — CID 61487623

IUPAC1-[5-methoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCCCc1nc(COc2ccc(OC)cc2CNC)cs1
InChIInChI=1S/C16H22N2O2S/c1-4-5-16-18-13(11-21-16)10-20-15-7-6-14(19-3)8-12(15)9-17-2/h6-8,11,17H,4-5,9-10H2,1-3H3
InChIKeyRWKBKVWWEBPQLS-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.40
Rot. Bonds8

About 1-[5-methoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine

1-[5-methoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 61487623) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-[5-methoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-methoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
PubChem CID61487623
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-[5-methoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCCCc1nc(COc2ccc(OC)cc2CNC)cs1
InChIInChI=1S/C16H22N2O2S/c1-4-5-16-18-13(11-21-16)10-20-15-7-6-14(19-3)8-12(15)9-17-2/h6-8,11,17H,4-5,9-10H2,1-3H3
InChIKeyRWKBKVWWEBPQLS-UHFFFAOYSA-N
XLogP3.40
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-methoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487344
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]-N-methylmethanamine
CID 107695414
1-(2-ethoxy-5-methoxyphenyl)-N-methylmethanamine
CID 43276259
1-[3,5-dichloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 61487461
[5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487303
1-[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 60878906
N-[[3-fluoro-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 107687012
[5-nitro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487346
4-[(4-fluorophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773447
4-[(4-bromophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773438
1-[2-[(3,5-dimethylphenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 61028878
1-[4-[(2,5-dibromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 79403792

Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-methoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine (CID 61487623) is 1-[5-methoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-methoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-methoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine is CCCc1nc(COc2ccc(OC)cc2CNC)cs1.
What is the InChIKey of 1-[5-methoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is RWKBKVWWEBPQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-4-5-16-18-13(11-21-16)10-20-15-7-6-14(19-3)8-12(15)9-17-2/h6-8,11,17H,4-5,9-10H2,1-3H3.
What are the key properties of 1-[5-methoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
1-[5-methoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 306.43 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 61487623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).