6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine

C21H18FN5O2S2 — CID 24952850

IUPAC6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21
InChIInChI=1S/C21H18FN5O2S2/c1-12(2)31(28,29)27-17-11-14(5-8-16(17)24-20(27)23)19-18(13-3-6-15(22)7-4-13)25-21-26(19)9-10-30-21/h3-12H,1-2H3,(H2,23,24)
InChIKeyHMBDNAGIIDHKKM-UHFFFAOYSA-N
MW455.54 g/mol
LogP4.39
Rot. Bonds4

About 6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine

6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine (PubChem CID 24952850) has the molecular formula C21H18FN5O2S2 and a molecular weight of 455.54 g/mol. Its IUPAC name is 6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine.

Molecular Properties

Compound Name6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
PubChem CID24952850
Molecular FormulaC21H18FN5O2S2
Molecular Weight455.54 g/mol
Exact Mass455.09
IUPAC Name6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21
InChIInChI=1S/C21H18FN5O2S2/c1-12(2)31(28,29)27-17-11-14(5-8-16(17)24-20(27)23)19-18(13-3-6-15(22)7-4-13)25-21-26(19)9-10-30-21/h3-12H,1-2H3,(H2,23,24)
InChIKeyHMBDNAGIIDHKKM-UHFFFAOYSA-N
XLogP4.39
TPSA95.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The IUPAC name of 6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine (CID 24952850) is 6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine.
What is the SMILES notation for 6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The canonical SMILES for 6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine is CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21.
What is the InChIKey of 6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The InChIKey is HMBDNAGIIDHKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2S2/c1-12(2)31(28,29)27-17-11-14(5-8-16(17)24-20(27)23)19-18(13-3-6-15(22)7-4-13)25-21-26(19)9-10-30-21/h3-12H,1-2H3,(H2,23,24).
What are the key properties of 6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine has a molecular weight of 455.54 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine is sourced from PubChem (CID 24952850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).