[5-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone

C23H25N5O2S — CID 45195736

IUPAC[5-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1nc2sccn2c1CN1CCCC(c2nc3ccccc3o2)C1)N1CCCC1
InChIInChI=1S/C23H25N5O2S/c29-22(27-10-3-4-11-27)20-18(28-12-13-31-23(28)25-20)15-26-9-5-6-16(14-26)21-24-17-7-1-2-8-19(17)30-21/h1-2,7-8,12-13,16H,3-6,9-11,14-15H2
InChIKeyNOUSONOWJGVTFI-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.15
Rot. Bonds4

About [5-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone

[5-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone (PubChem CID 45195736) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is [5-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
PubChem CID45195736
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC Name[5-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1nc2sccn2c1CN1CCCC(c2nc3ccccc3o2)C1)N1CCCC1
InChIInChI=1S/C23H25N5O2S/c29-22(27-10-3-4-11-27)20-18(28-12-13-31-23(28)25-20)15-26-9-5-6-16(14-26)21-24-17-7-1-2-8-19(17)30-21/h1-2,7-8,12-13,16H,3-6,9-11,14-15H2
InChIKeyNOUSONOWJGVTFI-UHFFFAOYSA-N
XLogP4.15
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone (CID 45195736) is [5-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone is O=C(c1nc2sccn2c1CN1CCCC(c2nc3ccccc3o2)C1)N1CCCC1.
What is the InChIKey of [5-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is NOUSONOWJGVTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c29-22(27-10-3-4-11-27)20-18(28-12-13-31-23(28)25-20)15-26-9-5-6-16(14-26)21-24-17-7-1-2-8-19(17)30-21/h1-2,7-8,12-13,16H,3-6,9-11,14-15H2.
What are the key properties of [5-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?
[5-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 435.55 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 45195736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).