1-[6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine

C14H13Cl2N3S2 — CID 63820287

IUPAC1-[6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
SMILESCC(N)Cc1c(Sc2cc(Cl)ccc2Cl)nc2sccn12
InChIInChI=1S/C14H13Cl2N3S2/c1-8(17)6-11-13(18-14-19(11)4-5-20-14)21-12-7-9(15)2-3-10(12)16/h2-5,7-8H,6,17H2,1H3
InChIKeyBOMCVYFQGJHOHI-UHFFFAOYSA-N
MW358.32 g/mol
LogP4.74
Rot. Bonds4

About 1-[6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine

1-[6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine (PubChem CID 63820287) has the molecular formula C14H13Cl2N3S2 and a molecular weight of 358.32 g/mol. Its IUPAC name is 1-[6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
PubChem CID63820287
Molecular FormulaC14H13Cl2N3S2
Molecular Weight358.32 g/mol
Exact Mass356.99
IUPAC Name1-[6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
SMILESCC(N)Cc1c(Sc2cc(Cl)ccc2Cl)nc2sccn12
InChIInChI=1S/C14H13Cl2N3S2/c1-8(17)6-11-13(18-14-19(11)4-5-20-14)21-12-7-9(15)2-3-10(12)16/h2-5,7-8H,6,17H2,1H3
InChIKeyBOMCVYFQGJHOHI-UHFFFAOYSA-N
XLogP4.74
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 63802182
1-[6-(1-methyltetrazol-5-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 63820444
1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 63803299
[6-(2-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 55239467
[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 55238469
2-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 55238545
[6-(2,5-dimethylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63806552
1-[4-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]propan-2-amine
CID 114865881
[6-(2-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63809988
1-[6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
CID 63819682
5-(2-aminopropyl)-N-methyl-N-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 63815102
1-(6-piperidin-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-amine
CID 63785604

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine?
The IUPAC name of 1-[6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine (CID 63820287) is 1-[6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine is CC(N)Cc1c(Sc2cc(Cl)ccc2Cl)nc2sccn12.
What is the InChIKey of 1-[6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine?
The InChIKey is BOMCVYFQGJHOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3S2/c1-8(17)6-11-13(18-14-19(11)4-5-20-14)21-12-7-9(15)2-3-10(12)16/h2-5,7-8H,6,17H2,1H3.
What are the key properties of 1-[6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine?
1-[6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine has a molecular weight of 358.32 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 63820287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).