N-ethyl-1-[3-(1,3-thiazol-5-ylmethylsulfanyl)phenyl]ethanamine

C14H18N2S2 — CID 112644505

IUPACN-ethyl-1-[3-(1,3-thiazol-5-ylmethylsulfanyl)phenyl]ethanamine
SMILESCCNC(C)c1cccc(SCc2cncs2)c1
InChIInChI=1S/C14H18N2S2/c1-3-16-11(2)12-5-4-6-13(7-12)17-9-14-8-15-10-18-14/h4-8,10-11,16H,3,9H2,1-2H3
InChIKeyCGCSTENHSAYDJR-UHFFFAOYSA-N
MW278.45 g/mol
LogP4.11
Rot. Bonds6

About N-ethyl-1-[3-(1,3-thiazol-5-ylmethylsulfanyl)phenyl]ethanamine

N-ethyl-1-[3-(1,3-thiazol-5-ylmethylsulfanyl)phenyl]ethanamine (PubChem CID 112644505) has the molecular formula C14H18N2S2 and a molecular weight of 278.45 g/mol. Its IUPAC name is N-ethyl-1-[3-(1,3-thiazol-5-ylmethylsulfanyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[3-(1,3-thiazol-5-ylmethylsulfanyl)phenyl]ethanamine
PubChem CID112644505
Molecular FormulaC14H18N2S2
Molecular Weight278.45 g/mol
Exact Mass278.09
IUPAC NameN-ethyl-1-[3-(1,3-thiazol-5-ylmethylsulfanyl)phenyl]ethanamine
SMILESCCNC(C)c1cccc(SCc2cncs2)c1
InChIInChI=1S/C14H18N2S2/c1-3-16-11(2)12-5-4-6-13(7-12)17-9-14-8-15-10-18-14/h4-8,10-11,16H,3,9H2,1-2H3
InChIKeyCGCSTENHSAYDJR-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[4-(1,3-thiazol-5-ylmethylsulfanyl)phenyl]ethanamine
CID 112644501
1-[3-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]-N-ethylethanamine
CID 64666107
N-[[3-(1,3-thiazol-5-ylmethylsulfanyl)phenyl]methyl]propan-1-amine
CID 112644518
N-ethyl-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]ethanamine
CID 64665076
(1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81365024
(1R)-1-(3-chlorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81366485
N-ethyl-1-[3-(2-phenylsulfanylethylsulfanyl)phenyl]ethanamine
CID 79205935
N-ethyl-1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]ethanamine
CID 64665074
N-ethyl-1-[3-(2-pyridin-3-ylethylsulfanyl)phenyl]ethanamine
CID 64664651
N-ethyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]ethanamine
CID 64666328
(1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81351888
N-ethyl-1-[3-[(1-methylimidazol-2-yl)methylsulfanyl]phenyl]ethanamine
CID 64664020

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-(1,3-thiazol-5-ylmethylsulfanyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[3-(1,3-thiazol-5-ylmethylsulfanyl)phenyl]ethanamine (CID 112644505) is N-ethyl-1-[3-(1,3-thiazol-5-ylmethylsulfanyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[3-(1,3-thiazol-5-ylmethylsulfanyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[3-(1,3-thiazol-5-ylmethylsulfanyl)phenyl]ethanamine is CCNC(C)c1cccc(SCc2cncs2)c1.
What is the InChIKey of N-ethyl-1-[3-(1,3-thiazol-5-ylmethylsulfanyl)phenyl]ethanamine?
The InChIKey is CGCSTENHSAYDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S2/c1-3-16-11(2)12-5-4-6-13(7-12)17-9-14-8-15-10-18-14/h4-8,10-11,16H,3,9H2,1-2H3.
What are the key properties of N-ethyl-1-[3-(1,3-thiazol-5-ylmethylsulfanyl)phenyl]ethanamine?
N-ethyl-1-[3-(1,3-thiazol-5-ylmethylsulfanyl)phenyl]ethanamine has a molecular weight of 278.45 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-(1,3-thiazol-5-ylmethylsulfanyl)phenyl]ethanamine is sourced from PubChem (CID 112644505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).