[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine

C12H10ClN3S2 — CID 55238469

IUPAC[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESNCc1c(Sc2ccc(Cl)cc2)nc2sccn12
InChIInChI=1S/C12H10ClN3S2/c13-8-1-3-9(4-2-8)18-11-10(7-14)16-5-6-17-12(16)15-11/h1-6H,7,14H2
InChIKeyOYMLZBILKUYCJF-UHFFFAOYSA-N
MW295.82 g/mol
LogP3.66
Rot. Bonds3

About [6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine

[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine (PubChem CID 55238469) has the molecular formula C12H10ClN3S2 and a molecular weight of 295.82 g/mol. Its IUPAC name is [6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
PubChem CID55238469
Molecular FormulaC12H10ClN3S2
Molecular Weight295.82 g/mol
Exact Mass295.00
IUPAC Name[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESNCc1c(Sc2ccc(Cl)cc2)nc2sccn12
InChIInChI=1S/C12H10ClN3S2/c13-8-1-3-9(4-2-8)18-11-10(7-14)16-5-6-17-12(16)15-11/h1-6H,7,14H2
InChIKeyOYMLZBILKUYCJF-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 55238545
[6-(4-tert-butylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63807450
[6-(4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 43476675
[6-(2-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63809988
6-(4-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole
CID 1482508
(E)-3-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide
CID 170876618
[6-(2,5-dimethylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63806552
(6-propylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 39194776
1-[6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 63820287
[6-(2-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 55239467
N-methyl-1-[6-(4-nitrophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63808703
[6-(3-methoxypropylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63855809

Frequently Asked Questions

What is the IUPAC name of [6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The IUPAC name of [6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine (CID 55238469) is [6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine.
What is the SMILES notation for [6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The canonical SMILES for [6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine is NCc1c(Sc2ccc(Cl)cc2)nc2sccn12.
What is the InChIKey of [6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The InChIKey is OYMLZBILKUYCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3S2/c13-8-1-3-9(4-2-8)18-11-10(7-14)16-5-6-17-12(16)15-11/h1-6H,7,14H2.
What are the key properties of [6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine has a molecular weight of 295.82 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine is sourced from PubChem (CID 55238469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).