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

C16H22N2S2 — CID 64666328

IUPACN-ethyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]ethanamine
SMILESCCNC(C)c1cccc(SCCc2scnc2C)c1
InChIInChI=1S/C16H22N2S2/c1-4-17-12(2)14-6-5-7-15(10-14)19-9-8-16-13(3)18-11-20-16/h5-7,10-12,17H,4,8-9H2,1-3H3
InChIKeyXZNIIEMFRGYKSW-UHFFFAOYSA-N
MW306.50 g/mol
LogP4.46
Rot. Bonds7

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

N-ethyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]ethanamine (PubChem CID 64666328) has the molecular formula C16H22N2S2 and a molecular weight of 306.50 g/mol. Its IUPAC name is N-ethyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]ethanamine
PubChem CID64666328
Molecular FormulaC16H22N2S2
Molecular Weight306.50 g/mol
Exact Mass306.12
IUPAC NameN-ethyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]ethanamine
SMILESCCNC(C)c1cccc(SCCc2scnc2C)c1
InChIInChI=1S/C16H22N2S2/c1-4-17-12(2)14-6-5-7-15(10-14)19-9-8-16-13(3)18-11-20-16/h5-7,10-12,17H,4,8-9H2,1-3H3
InChIKeyXZNIIEMFRGYKSW-UHFFFAOYSA-N
XLogP4.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]methanamine
CID 66347819
N-ethyl-1-[3-(2-phenylsulfanylethylsulfanyl)phenyl]ethanamine
CID 79205935
(1R)-1-(3-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81381393
(1S)-1-(3-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81372103
N-ethyl-1-[3-(2-pyridin-3-ylethylsulfanyl)phenyl]ethanamine
CID 64664651
N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]methyl]cyclopropanamine
CID 66348869
N-ethyl-1-[3-(1,3-thiazol-5-ylmethylsulfanyl)phenyl]ethanamine
CID 112644505
1-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 55170713
6-[3-[1-(ethylamino)ethyl]phenyl]sulfanylhexan-1-ol
CID 107707219
5-[3-[1-(ethylamino)ethyl]phenyl]sulfanylpentan-1-ol
CID 64665070
N-ethyl-1-[5-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
CID 43285209
1-[3-(2-bromoprop-2-enylsulfanyl)phenyl]-N-ethylethanamine
CID 64663802

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]ethanamine (CID 64666328) is N-ethyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]ethanamine is CCNC(C)c1cccc(SCCc2scnc2C)c1.
What is the InChIKey of N-ethyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]ethanamine?
The InChIKey is XZNIIEMFRGYKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S2/c1-4-17-12(2)14-6-5-7-15(10-14)19-9-8-16-13(3)18-11-20-16/h5-7,10-12,17H,4,8-9H2,1-3H3.
What are the key properties of N-ethyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]ethanamine?
N-ethyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]ethanamine has a molecular weight of 306.50 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]ethanamine is sourced from PubChem (CID 64666328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).