5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole

C19H23FN4O2S2 — CID 53151711

IUPAC5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole
SMILESCc1cn2c(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c(C(C)C)nc2s1
InChIInChI=1S/C19H23FN4O2S2/c1-13(2)17-18(24-12-14(3)27-19(24)21-17)28(25,26)23-10-8-22(9-11-23)16-6-4-15(20)5-7-16/h4-7,12-13H,8-11H2,1-3H3
InChIKeyMKHUREWOZNPJKS-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.48
Rot. Bonds4

About 5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole

5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole (PubChem CID 53151711) has the molecular formula C19H23FN4O2S2 and a molecular weight of 422.55 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole
PubChem CID53151711
Molecular FormulaC19H23FN4O2S2
Molecular Weight422.55 g/mol
Exact Mass422.12
IUPAC Name5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole
SMILESCc1cn2c(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c(C(C)C)nc2s1
InChIInChI=1S/C19H23FN4O2S2/c1-13(2)17-18(24-12-14(3)27-19(24)21-17)28(25,26)23-10-8-22(9-11-23)16-6-4-15(20)5-7-16/h4-7,12-13H,8-11H2,1-3H3
InChIKeyMKHUREWOZNPJKS-UHFFFAOYSA-N
XLogP3.48
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole (CID 53151711) is 5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole is Cc1cn2c(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c(C(C)C)nc2s1.
What is the InChIKey of 5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole?
The InChIKey is MKHUREWOZNPJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2S2/c1-13(2)17-18(24-12-14(3)27-19(24)21-17)28(25,26)23-10-8-22(9-11-23)16-6-4-15(20)5-7-16/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole?
5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole has a molecular weight of 422.55 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 53151711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).