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

C14H17ClN2OS — CID 82193620

IUPACN-[[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(COc2ccc(Cl)cc2)nc1C
InChIInChI=1S/C14H17ClN2OS/c1-3-16-8-13-10(2)17-14(19-13)9-18-12-6-4-11(15)5-7-12/h4-7,16H,3,8-9H2,1-2H3
InChIKeyMVKIJKJOTHMIKL-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.79
Rot. Bonds6

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

N-[[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 82193620) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is N-[[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID82193620
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC NameN-[[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(COc2ccc(Cl)cc2)nc1C
InChIInChI=1S/C14H17ClN2OS/c1-3-16-8-13-10(2)17-14(19-13)9-18-12-6-4-11(15)5-7-12/h4-7,16H,3,8-9H2,1-2H3
InChIKeyMVKIJKJOTHMIKL-UHFFFAOYSA-N
XLogP3.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82431840
N-[[2-[(4-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82440542
N-[[4-methyl-2-(phenoxymethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82425948
[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanethiol
CID 82426004
N-[2-[(4-chlorobenzoyl)amino]ethyl]-2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55546254
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290745
3-[[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonyl]-ethylamino]propanoic acid
CID 119191212
2-[(4-chlorophenoxy)methyl]-4-methyl-N,N-di(propan-2-yl)-1,3-thiazole-5-carboxamide
CID 56530490
N-[(4-chlorophenyl)methyl]-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936066
3-[[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
CID 119232739
N-[[5-[(4-chlorophenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62453744
[2-[(3-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82134233

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine (CID 82193620) is N-[[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(COc2ccc(Cl)cc2)nc1C.
What is the InChIKey of N-[[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is MVKIJKJOTHMIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-3-16-8-13-10(2)17-14(19-13)9-18-12-6-4-11(15)5-7-12/h4-7,16H,3,8-9H2,1-2H3.
What are the key properties of N-[[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 296.82 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 82193620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).