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

C16H22N2OS — CID 82191242

IUPACN-[[2-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-c2ccc(OCC(C)C)cc2)s1
InChIInChI=1S/C16H22N2OS/c1-4-17-9-15-10-18-16(20-15)13-5-7-14(8-6-13)19-11-12(2)3/h5-8,10,12,17H,4,9,11H2,1-3H3
InChIKeySEAPWCFUKVJLHF-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.95
Rot. Bonds7

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

N-[[2-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 82191242) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[[2-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID82191242
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[[2-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-c2ccc(OCC(C)C)cc2)s1
InChIInChI=1S/C16H22N2OS/c1-4-17-9-15-10-18-16(20-15)13-5-7-14(8-6-13)19-11-12(2)3/h5-8,10,12,17H,4,9,11H2,1-3H3
InChIKeySEAPWCFUKVJLHF-UHFFFAOYSA-N
XLogP3.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 61282527
N-[[2-(4-propoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62495260
N-[[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 104823153
N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107504207
5-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]-2-methoxyphenol
CID 61282140
N-[[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82191269
N-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 61280364
3-[4-(5-ethyl-1,3-thiazol-2-yl)phenoxy]propan-1-ol
CID 157454552
N-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 66424484
(2R)-2-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol
CID 111382371
N-[[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404972
N-[[2-[4-[3-(ethylamino)-2-methylpropoxy]phenyl]-1,3-thiazol-5-yl]methyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
CID 145277635

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine (CID 82191242) is N-[[2-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1cnc(-c2ccc(OCC(C)C)cc2)s1.
What is the InChIKey of N-[[2-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is SEAPWCFUKVJLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-17-9-15-10-18-16(20-15)13-5-7-14(8-6-13)19-11-12(2)3/h5-8,10,12,17H,4,9,11H2,1-3H3.
What are the key properties of N-[[2-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 290.43 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 82191242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).