N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

C16H22N2OS — CID 106793138

IUPACN-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCOc1cc(C)ccc1-c1ncc(CNC(C)(C)C)s1
InChIInChI=1S/C16H22N2OS/c1-11-6-7-13(14(8-11)19-5)15-17-9-12(20-15)10-18-16(2,3)4/h6-9,18H,10H2,1-5H3
InChIKeyHOQPLYGPYQQAIG-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.02
Rot. Bonds4

About N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 106793138) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID106793138
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCOc1cc(C)ccc1-c1ncc(CNC(C)(C)C)s1
InChIInChI=1S/C16H22N2OS/c1-11-6-7-13(14(8-11)19-5)15-17-9-12(20-15)10-18-16(2,3)4/h6-9,18H,10H2,1-5H3
InChIKeyHOQPLYGPYQQAIG-UHFFFAOYSA-N
XLogP4.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-bromo-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 107915402
N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 106793139
N-[[5-(4-bromo-2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 115370313
2-methyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 65197994
N-[[5-(2-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 79484926
1-[4-ethyl-2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 106793145
2-methyl-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 65197995
2-(2-ethoxy-5-methylphenyl)-5-ethyl-1,3-thiazole
CID 178133907
N-ethyl-1-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 106792889
[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 106793124
N-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 61282726
[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 55247497

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 106793138) is N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is COc1cc(C)ccc1-c1ncc(CNC(C)(C)C)s1.
What is the InChIKey of N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is HOQPLYGPYQQAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-11-6-7-13(14(8-11)19-5)15-17-9-12(20-15)10-18-16(2,3)4/h6-9,18H,10H2,1-5H3.
What are the key properties of N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 290.43 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 106793138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).