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

C16H22N2OS — CID 82434874

IUPACN-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2ccccc2OC)nc1C(C)C
InChIInChI=1S/C16H22N2OS/c1-5-17-10-14-15(11(2)3)18-16(20-14)12-8-6-7-9-13(12)19-4/h6-9,11,17H,5,10H2,1-4H3
InChIKeyZGSUDBKUSNBMSP-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.05
Rot. Bonds6

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

N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 82434874) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID82434874
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2ccccc2OC)nc1C(C)C
InChIInChI=1S/C16H22N2OS/c1-5-17-10-14-15(11(2)3)18-16(20-14)12-8-6-7-9-13(12)19-4/h6-9,11,17H,5,10H2,1-4H3
InChIKeyZGSUDBKUSNBMSP-UHFFFAOYSA-N
XLogP4.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82434875
N-[[2-(2-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114364975
N-[[4-propan-2-yl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107935540
N-[[4-propan-2-yl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114365080
2-methoxy-N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82427020
2-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide
CID 110329378
N-[(2-phenyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 82433713
5-(chloromethyl)-2-(2-methoxyphenyl)-4-phenyl-1,3-thiazole
CID 28709903
2-[2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile
CID 82435121
2-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 154186079
N-[[2-(4-chloro-2-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 106819798
N-[[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82434587

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine (CID 82434874) is N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(-c2ccccc2OC)nc1C(C)C.
What is the InChIKey of N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is ZGSUDBKUSNBMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-5-17-10-14-15(11(2)3)18-16(20-14)12-8-6-7-9-13(12)19-4/h6-9,11,17H,5,10H2,1-4H3.
What are the key properties of N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 290.43 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 82434874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).