1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)phenyl]ethanamine

C14H15N3S2 — CID 115334592

IUPAC1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)phenyl]ethanamine
SMILESCC(N)c1ccc(SCc2cn3ccsc3n2)cc1
InChIInChI=1S/C14H15N3S2/c1-10(15)11-2-4-13(5-3-11)19-9-12-8-17-6-7-18-14(17)16-12/h2-8,10H,9,15H2,1H3
InChIKeyWVDHZJVKYJQLNC-UHFFFAOYSA-N
MW289.43 g/mol
LogP3.71
Rot. Bonds4

About 1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)phenyl]ethanamine

1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)phenyl]ethanamine (PubChem CID 115334592) has the molecular formula C14H15N3S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)phenyl]ethanamine
PubChem CID115334592
Molecular FormulaC14H15N3S2
Molecular Weight289.43 g/mol
Exact Mass289.07
IUPAC Name1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)phenyl]ethanamine
SMILESCC(N)c1ccc(SCc2cn3ccsc3n2)cc1
InChIInChI=1S/C14H15N3S2/c1-10(15)11-2-4-13(5-3-11)19-9-12-8-17-6-7-18-14(17)16-12/h2-8,10H,9,15H2,1H3
InChIKeyWVDHZJVKYJQLNC-UHFFFAOYSA-N
XLogP3.71
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)phenyl]ethanol
CID 115334609
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylphenyl)ethanamine
CID 115333398
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanylpropan-2-amine
CID 115333704
4-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)aniline
CID 115332050
5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)aniline
CID 115332020
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanylpropan-2-ol
CID 115333283
5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 52558692
1-(4-tert-butylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023719
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylsulfanylphenyl)ethanol
CID 115828185
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfanylpropan-2-ol
CID 115333257
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-amine
CID 115333412
(1S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 115331752

Frequently Asked Questions

What is the IUPAC name of 1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)phenyl]ethanamine?
The IUPAC name of 1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)phenyl]ethanamine (CID 115334592) is 1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)phenyl]ethanamine?
The canonical SMILES for 1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)phenyl]ethanamine is CC(N)c1ccc(SCc2cn3ccsc3n2)cc1.
What is the InChIKey of 1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)phenyl]ethanamine?
The InChIKey is WVDHZJVKYJQLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S2/c1-10(15)11-2-4-13(5-3-11)19-9-12-8-17-6-7-18-14(17)16-12/h2-8,10H,9,15H2,1H3.
What are the key properties of 1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)phenyl]ethanamine?
1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)phenyl]ethanamine has a molecular weight of 289.43 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)phenyl]ethanamine is sourced from PubChem (CID 115334592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).