N-methyl-2-(4-methylphenoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine

C14H18N2OS — CID 47014924

IUPACN-methyl-2-(4-methylphenoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCc1ccc(OCCN(C)Cc2cscn2)cc1
InChIInChI=1S/C14H18N2OS/c1-12-3-5-14(6-4-12)17-8-7-16(2)9-13-10-18-11-15-13/h3-6,10-11H,7-9H2,1-2H3
InChIKeyRQYCEBKSEHPBAS-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.96
Rot. Bonds6

About N-methyl-2-(4-methylphenoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine

N-methyl-2-(4-methylphenoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine (PubChem CID 47014924) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-methyl-2-(4-methylphenoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methylphenoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine
PubChem CID47014924
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-methyl-2-(4-methylphenoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCc1ccc(OCCN(C)Cc2cscn2)cc1
InChIInChI=1S/C14H18N2OS/c1-12-3-5-14(6-4-12)17-8-7-16(2)9-13-10-18-11-15-13/h3-6,10-11H,7-9H2,1-2H3
InChIKeyRQYCEBKSEHPBAS-UHFFFAOYSA-N
XLogP2.96
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-Pyrrolidin-1-yl-ethoxy)-benzyl]-thiazole
CID 10708509
N-butyl-N-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]ethyl]butan-1-amine;hydrochloride
CID 14146318
N-({2-[(4-Methylphenoxy)methyl]-1,3-thiazol-4-YL}methyl)-N-(2-methylpropyl)acetamide
CID 24714429
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)propanamide
CID 46009264
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)butanamide
CID 168269504
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)hexanamide
CID 168289073
(E)-N,N-diethyl-3-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-enamide
CID 164616556
N-methyl-2-phenoxy-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 45868367
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine
CID 50955634
2-(4-bromophenoxy)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 51110679
2-(3,5-dimethylphenoxy)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 51110701
2,2-Dimethyl-3-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylamino]propanamide
CID 53501153

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylphenoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The IUPAC name of N-methyl-2-(4-methylphenoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine (CID 47014924) is N-methyl-2-(4-methylphenoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-2-(4-methylphenoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-2-(4-methylphenoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine is Cc1ccc(OCCN(C)Cc2cscn2)cc1.
What is the InChIKey of N-methyl-2-(4-methylphenoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The InChIKey is RQYCEBKSEHPBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-12-3-5-14(6-4-12)17-8-7-16(2)9-13-10-18-11-15-13/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylphenoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
N-methyl-2-(4-methylphenoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine has a molecular weight of 262.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylphenoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 47014924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).