1-[2-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine

C17H24N2OS — CID 114368265

IUPAC1-[2-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(Cc2ccc(OC)cc2)nc1CC(C)C
InChIInChI=1S/C17H24N2OS/c1-12(2)9-15-16(11-18-3)21-17(19-15)10-13-5-7-14(20-4)8-6-13/h5-8,12,18H,9-11H2,1-4H3
InChIKeyOYJVJSQQNUCKBZ-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.66
Rot. Bonds7

About 1-[2-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114368265) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-[2-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114368265
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name1-[2-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(Cc2ccc(OC)cc2)nc1CC(C)C
InChIInChI=1S/C17H24N2OS/c1-12(2)9-15-16(11-18-3)21-17(19-15)10-13-5-7-14(20-4)8-6-13/h5-8,12,18H,9-11H2,1-4H3
InChIKeyOYJVJSQQNUCKBZ-UHFFFAOYSA-N
XLogP3.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3-bromophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114368430
2-[2-[(4-methoxyphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile
CID 82433828
1-[4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440582
[4-ethyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82428463
1-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82429503
N-methyl-1-[2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114363582
[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362062
N-methyl-1-[4-propan-2-yl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 114364727
1-[2-[(4-fluorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363402
1-[2-[(3,4-dimethylphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366014
1-[2-tert-butyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114368318
N-methyl-1-[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 114368436

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114368265) is 1-[2-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(Cc2ccc(OC)cc2)nc1CC(C)C.
What is the InChIKey of 1-[2-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is OYJVJSQQNUCKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-12(2)9-15-16(11-18-3)21-17(19-15)10-13-5-7-14(20-4)8-6-13/h5-8,12,18H,9-11H2,1-4H3.
What are the key properties of 1-[2-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 304.46 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114368265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).