6-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole

C12H15ClN4O2S2 — CID 61044840

IUPAC6-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole
SMILESO=S(=O)(c1c(Cl)nc2sccn12)N1CCN(C2CC2)CC1
InChIInChI=1S/C12H15ClN4O2S2/c13-10-11(17-7-8-20-12(17)14-10)21(18,19)16-5-3-15(4-6-16)9-1-2-9/h7-9H,1-6H2
InChIKeyUTRBFYIXMDBONQ-UHFFFAOYSA-N
MW346.87 g/mol
LogP1.52
Rot. Bonds3

About 6-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole

6-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole (PubChem CID 61044840) has the molecular formula C12H15ClN4O2S2 and a molecular weight of 346.87 g/mol. Its IUPAC name is 6-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole
PubChem CID61044840
Molecular FormulaC12H15ClN4O2S2
Molecular Weight346.87 g/mol
Exact Mass346.03
IUPAC Name6-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole
SMILESO=S(=O)(c1c(Cl)nc2sccn12)N1CCN(C2CC2)CC1
InChIInChI=1S/C12H15ClN4O2S2/c13-10-11(17-7-8-20-12(17)14-10)21(18,19)16-5-3-15(4-6-16)9-1-2-9/h7-9H,1-6H2
InChIKeyUTRBFYIXMDBONQ-UHFFFAOYSA-N
XLogP1.52
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.87
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole
CID 54882392
methyl 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolidine-3-carboxylate
CID 78926070
1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-(hydroxymethyl)pyrrolidin-3-ol
CID 142309567
[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-2-yl]methanol
CID 61052306
1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylimidazolidin-2-one
CID 61215509
6-chloro-N-methyl-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60812795
6-chloro-5-[4-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole
CID 168797510
6-chloro-5-[4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole
CID 168797834
6-chloro-N-(3,4-dimethylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 64743097
5-piperidin-1-ylsulfonylimidazo[2,1-b][1,3]thiazol-6-amine
CID 62143175
6-(4-cyclopropylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 61441904
6-chloro-N-methyl-N-(3-methylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61446970

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole (CID 61044840) is 6-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole is O=S(=O)(c1c(Cl)nc2sccn12)N1CCN(C2CC2)CC1.
What is the InChIKey of 6-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole?
The InChIKey is UTRBFYIXMDBONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2S2/c13-10-11(17-7-8-20-12(17)14-10)21(18,19)16-5-3-15(4-6-16)9-1-2-9/h7-9H,1-6H2.
What are the key properties of 6-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole?
6-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole has a molecular weight of 346.87 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 61044840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).