[5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine

C13H12ClN3OS — CID 115331284

IUPAC[5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine
SMILESNCc1cc(Cl)ccc1OCc1cn2ccsc2n1
InChIInChI=1S/C13H12ClN3OS/c14-10-1-2-12(9(5-10)6-15)18-8-11-7-17-3-4-19-13(17)16-11/h1-5,7H,6,8,15H2
InChIKeyQDGLMEBWDWBQSS-UHFFFAOYSA-N
MW293.78 g/mol
LogP3.09
Rot. Bonds4

About [5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine

[5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine (PubChem CID 115331284) has the molecular formula C13H12ClN3OS and a molecular weight of 293.78 g/mol. Its IUPAC name is [5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine
PubChem CID115331284
Molecular FormulaC13H12ClN3OS
Molecular Weight293.78 g/mol
Exact Mass293.04
IUPAC Name[5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine
SMILESNCc1cc(Cl)ccc1OCc1cn2ccsc2n1
InChIInChI=1S/C13H12ClN3OS/c14-10-1-2-12(9(5-10)6-15)18-8-11-7-17-3-4-19-13(17)16-11/h1-5,7H,6,8,15H2
InChIKeyQDGLMEBWDWBQSS-UHFFFAOYSA-N
XLogP3.09
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334810
[3-bromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine
CID 115331341
6-[(5-bromo-2-fluorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
CID 114672715
[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanol
CID 113288919
[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-methoxyphenyl]methanol
CID 115332156
3,5-dichloro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)aniline
CID 115331203
[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-3-nitrophenyl]methanamine
CID 115331283
[3,5-dibromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine
CID 107741325
[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-nitrophenyl]methanol
CID 115332158
5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 115331935
2-chloro-6-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarbothioamide
CID 115331871
1-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylmethanamine
CID 107686523

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine?
The IUPAC name of [5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine (CID 115331284) is [5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine is NCc1cc(Cl)ccc1OCc1cn2ccsc2n1.
What is the InChIKey of [5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine?
The InChIKey is QDGLMEBWDWBQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3OS/c14-10-1-2-12(9(5-10)6-15)18-8-11-7-17-3-4-19-13(17)16-11/h1-5,7H,6,8,15H2.
What are the key properties of [5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine?
[5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine has a molecular weight of 293.78 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 115331284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).