1-(4-ethylsulfanylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

C15H20N2S2 — CID 106848941

IUPAC1-(4-ethylsulfanylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCCSc1ccc(C(Cc2csc(C)n2)NC)cc1
InChIInChI=1S/C15H20N2S2/c1-4-18-14-7-5-12(6-8-14)15(16-3)9-13-10-19-11(2)17-13/h5-8,10,15-16H,4,9H2,1-3H3
InChIKeySRWSJOWBMPSMDQ-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.07
Rot. Bonds6

About 1-(4-ethylsulfanylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

1-(4-ethylsulfanylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 106848941) has the molecular formula C15H20N2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID106848941
Molecular FormulaC15H20N2S2
Molecular Weight292.47 g/mol
Exact Mass292.11
IUPAC Name1-(4-ethylsulfanylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCCSc1ccc(C(Cc2csc(C)n2)NC)cc1
InChIInChI=1S/C15H20N2S2/c1-4-18-14-7-5-12(6-8-14)15(16-3)9-13-10-19-11(2)17-13/h5-8,10,15-16H,4,9H2,1-3H3
InChIKeySRWSJOWBMPSMDQ-UHFFFAOYSA-N
XLogP4.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine
CID 106848898
1-(4-fluorophenyl)sulfanyl-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 66071610
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiadiazol-4-yl)ethanamine
CID 105158940
N-ethyl-1-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 55119799
[1-(4-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316235
4-[1-(ethylamino)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylaniline
CID 105159159
N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-naphthalen-2-ylethanamine
CID 62799174
N-methyl-1-(4-methylthiadiazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105159022
4-[1-hydrazinyl-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylaniline
CID 105316088
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 107968485
1-(2-chlorofuran-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106692348
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105158966

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 1-(4-ethylsulfanylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 106848941) is 1-(4-ethylsulfanylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is CCSc1ccc(C(Cc2csc(C)n2)NC)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is SRWSJOWBMPSMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S2/c1-4-18-14-7-5-12(6-8-14)15(16-3)9-13-10-19-11(2)17-13/h5-8,10,15-16H,4,9H2,1-3H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
1-(4-ethylsulfanylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 292.47 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 106848941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).