4-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)aniline

C12H10ClN3S2 — CID 115332050

IUPAC4-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)aniline
SMILESNc1ccc(Cl)cc1SCc1cn2ccsc2n1
InChIInChI=1S/C12H10ClN3S2/c13-8-1-2-10(14)11(5-8)18-7-9-6-16-3-4-17-12(16)15-9/h1-6H,7,14H2
InChIKeyBBSFAJQPAUUFDN-UHFFFAOYSA-N
MW295.82 g/mol
LogP3.92
Rot. Bonds3

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

4-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)aniline (PubChem CID 115332050) has the molecular formula C12H10ClN3S2 and a molecular weight of 295.82 g/mol. Its IUPAC name is 4-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)aniline.

Molecular Properties

Compound Name4-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)aniline
PubChem CID115332050
Molecular FormulaC12H10ClN3S2
Molecular Weight295.82 g/mol
Exact Mass295.00
IUPAC Name4-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)aniline
SMILESNc1ccc(Cl)cc1SCc1cn2ccsc2n1
InChIInChI=1S/C12H10ClN3S2/c13-8-1-2-10(14)11(5-8)18-7-9-6-16-3-4-17-12(16)15-9/h1-6H,7,14H2
InChIKeyBBSFAJQPAUUFDN-UHFFFAOYSA-N
XLogP3.92
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.82
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)aniline
CID 115332020
1-(3-chlorophenyl)sulfanyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
CID 115333797
1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)phenyl]ethanamine
CID 115334592
1-(2,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023602
7-[(2-amino-4-chlorophenyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 43251011
5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 52558692
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-fluoroaniline
CID 79148325
(1S)-1-(4-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 115331754
[5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine
CID 115331284
4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-iodoaniline
CID 107634891
1-[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)phenyl]ethanol
CID 115334609
1-(2,4-dichlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 78918734

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)aniline?
The IUPAC name of 4-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)aniline (CID 115332050) is 4-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)aniline.
What is the SMILES notation for 4-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)aniline?
The canonical SMILES for 4-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)aniline is Nc1ccc(Cl)cc1SCc1cn2ccsc2n1.
What is the InChIKey of 4-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)aniline?
The InChIKey is BBSFAJQPAUUFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3S2/c13-8-1-2-10(14)11(5-8)18-7-9-6-16-3-4-17-12(16)15-9/h1-6H,7,14H2.
What are the key properties of 4-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)aniline?
4-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)aniline has a molecular weight of 295.82 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)aniline is sourced from PubChem (CID 115332050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).