N-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine

C19H22N2OS2 — CID 55387548

IUPACN-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCOc1ccc(-c2nc(CN(CC)Cc3cccs3)cs2)cc1
InChIInChI=1S/C19H22N2OS2/c1-3-21(13-18-6-5-11-23-18)12-16-14-24-19(20-16)15-7-9-17(10-8-15)22-4-2/h5-11,14H,3-4,12-13H2,1-2H3
InChIKeyPRWCTYYJLORZKF-UHFFFAOYSA-N
MW358.53 g/mol
LogP5.29
Rot. Bonds8

About N-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine

N-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 55387548) has the molecular formula C19H22N2OS2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID55387548
Molecular FormulaC19H22N2OS2
Molecular Weight358.53 g/mol
Exact Mass358.12
IUPAC NameN-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCOc1ccc(-c2nc(CN(CC)Cc3cccs3)cs2)cc1
InChIInChI=1S/C19H22N2OS2/c1-3-21(13-18-6-5-11-23-18)12-16-14-24-19(20-16)15-7-9-17(10-8-15)22-4-2/h5-11,14H,3-4,12-13H2,1-2H3
InChIKeyPRWCTYYJLORZKF-UHFFFAOYSA-N
XLogP5.29
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-thiophen-2-ylethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 165153483
N-[[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62462221
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888129
2-[4-(aminomethyl)phenoxy]-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine
CID 61439221
1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine
CID 39895302
N-[[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62462397
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 43026526
2-(4-ethoxyphenyl)-1,3-thiazole-4-thiol
CID 116889638
5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
CID 159789278
N-ethyl-2-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 78825986
8-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 55591032
N-[(2-chlorophenyl)methyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 46586397

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of N-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine (CID 55387548) is N-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for N-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine is CCOc1ccc(-c2nc(CN(CC)Cc3cccs3)cs2)cc1.
What is the InChIKey of N-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is PRWCTYYJLORZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS2/c1-3-21(13-18-6-5-11-23-18)12-16-14-24-19(20-16)15-7-9-17(10-8-15)22-4-2/h5-11,14H,3-4,12-13H2,1-2H3.
What are the key properties of N-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine?
N-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 358.53 g/mol, XLogP of 5.29, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 55387548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).