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

C15H20N2OS — CID 62495260

IUPACN-[[2-(4-propoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCCOc1ccc(-c2ncc(CNCC)s2)cc1
InChIInChI=1S/C15H20N2OS/c1-3-9-18-13-7-5-12(6-8-13)15-17-11-14(19-15)10-16-4-2/h5-8,11,16H,3-4,9-10H2,1-2H3
InChIKeyRFMLHWGVSDOTIY-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.71
Rot. Bonds7

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

N-[[2-(4-propoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 62495260) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[[2-(4-propoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-propoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID62495260
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-[[2-(4-propoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCCOc1ccc(-c2ncc(CNCC)s2)cc1
InChIInChI=1S/C15H20N2OS/c1-3-9-18-13-7-5-12(6-8-13)15-17-11-14(19-15)10-16-4-2/h5-8,11,16H,3-4,9-10H2,1-2H3
InChIKeyRFMLHWGVSDOTIY-UHFFFAOYSA-N
XLogP3.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82191242
N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 61282527
N-[[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 104823153
3-[4-(5-ethyl-1,3-thiazol-2-yl)phenoxy]propan-1-ol
CID 157454552
N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107504207
N-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 61280364
5-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]-2-methoxyphenol
CID 61282140
N-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 66424484
N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82191156
2-[4-[(E)-hex-4-enoxy]phenyl]-5-propyl-1,3-thiazole
CID 23432183
N-[[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82191269
N-[[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82191171

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-propoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-propoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 62495260) is N-[[2-(4-propoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-propoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-propoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCCOc1ccc(-c2ncc(CNCC)s2)cc1.
What is the InChIKey of N-[[2-(4-propoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is RFMLHWGVSDOTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-3-9-18-13-7-5-12(6-8-13)15-17-11-14(19-15)10-16-4-2/h5-8,11,16H,3-4,9-10H2,1-2H3.
What are the key properties of N-[[2-(4-propoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(4-propoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 276.41 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-propoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62495260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).