[5-[[(3-propan-2-yl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone

C18H23N5O2S — CID 29151742

IUPAC[5-[[(3-propan-2-yl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)c1cc(CNCc2c(C(=O)N3CCCC3)nc3sccn23)on1
InChIInChI=1S/C18H23N5O2S/c1-12(2)14-9-13(25-21-14)10-19-11-15-16(17(24)22-5-3-4-6-22)20-18-23(15)7-8-26-18/h7-9,12,19H,3-6,10-11H2,1-2H3
InChIKeyBTEVSKWFKUHLNT-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.03
Rot. Bonds6

About [5-[[(3-propan-2-yl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone

[5-[[(3-propan-2-yl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone (PubChem CID 29151742) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is [5-[[(3-propan-2-yl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[[(3-propan-2-yl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
PubChem CID29151742
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name[5-[[(3-propan-2-yl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)c1cc(CNCc2c(C(=O)N3CCCC3)nc3sccn23)on1
InChIInChI=1S/C18H23N5O2S/c1-12(2)14-9-13(25-21-14)10-19-11-15-16(17(24)22-5-3-4-6-22)20-18-23(15)7-8-26-18/h7-9,12,19H,3-6,10-11H2,1-2H3
InChIKeyBTEVSKWFKUHLNT-UHFFFAOYSA-N
XLogP3.03
TPSA75.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-[[(3-propan-2-yl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-[[(3-propan-2-yl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[[(3-propan-2-yl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone (CID 29151742) is [5-[[(3-propan-2-yl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[[(3-propan-2-yl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[[(3-propan-2-yl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone is CC(C)c1cc(CNCc2c(C(=O)N3CCCC3)nc3sccn23)on1.
What is the InChIKey of [5-[[(3-propan-2-yl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is BTEVSKWFKUHLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-12(2)14-9-13(25-21-14)10-19-11-15-16(17(24)22-5-3-4-6-22)20-18-23(15)7-8-26-18/h7-9,12,19H,3-6,10-11H2,1-2H3.
What are the key properties of [5-[[(3-propan-2-yl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?
[5-[[(3-propan-2-yl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 373.48 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(3-propan-2-yl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 29151742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).