2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine

C16H22N2S2 — CID 106848898

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine
SMILESCCSc1ccc(C(Cc2nc(C)c(C)s2)NC)cc1
InChIInChI=1S/C16H22N2S2/c1-5-19-14-8-6-13(7-9-14)15(17-4)10-16-18-11(2)12(3)20-16/h6-9,15,17H,5,10H2,1-4H3
InChIKeyAOJWEKMJCQPSIE-UHFFFAOYSA-N
MW306.50 g/mol
LogP4.38
Rot. Bonds6

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine (PubChem CID 106848898) has the molecular formula C16H22N2S2 and a molecular weight of 306.50 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine
PubChem CID106848898
Molecular FormulaC16H22N2S2
Molecular Weight306.50 g/mol
Exact Mass306.12
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine
SMILESCCSc1ccc(C(Cc2nc(C)c(C)s2)NC)cc1
InChIInChI=1S/C16H22N2S2/c1-5-19-14-8-6-13(7-9-14)15(17-4)10-16-18-11(2)12(3)20-16/h6-9,15,17H,5,10H2,1-4H3
InChIKeyAOJWEKMJCQPSIE-UHFFFAOYSA-N
XLogP4.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-phenylethanamine
CID 65168981
1-(4-ethylsulfanylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106848941
1-(3-chloro-4-iodophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 103215960
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105019704
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105019626
[1-(4-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105192292
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine
CID 106848854
[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethyl]hydrazine
CID 105199172
[1-(4-ethylsulfanylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 106850391
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)-N-methylethanamine
CID 115533845
2-(2,6-difluorophenyl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine
CID 106849015
1-(2,3-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105019795

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine (CID 106848898) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine is CCSc1ccc(C(Cc2nc(C)c(C)s2)NC)cc1.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine?
The InChIKey is AOJWEKMJCQPSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S2/c1-5-19-14-8-6-13(7-9-14)15(17-4)10-16-18-11(2)12(3)20-16/h6-9,15,17H,5,10H2,1-4H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine has a molecular weight of 306.50 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine is sourced from PubChem (CID 106848898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).