3-methyl-N-(oxolan-2-ylmethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide

C18H19N3O2S — CID 5310170

IUPAC3-methyl-N-(oxolan-2-ylmethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)NCC2CCCO2)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C18H19N3O2S/c1-12-16(17(22)19-10-14-8-5-9-23-14)24-18-20-15(11-21(12)18)13-6-3-2-4-7-13/h2-4,6-7,11,14H,5,8-10H2,1H3,(H,19,22)
InChIKeyILGFXCZXYYSBMK-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.28
Rot. Bonds4

About 3-methyl-N-(oxolan-2-ylmethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide

3-methyl-N-(oxolan-2-ylmethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 5310170) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 3-methyl-N-(oxolan-2-ylmethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(oxolan-2-ylmethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID5310170
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name3-methyl-N-(oxolan-2-ylmethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)NCC2CCCO2)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C18H19N3O2S/c1-12-16(17(22)19-10-14-8-5-9-23-14)24-18-20-15(11-21(12)18)13-6-3-2-4-7-13/h2-4,6-7,11,14H,5,8-10H2,1H3,(H,19,22)
InChIKeyILGFXCZXYYSBMK-UHFFFAOYSA-N
XLogP3.28
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(oxolan-2-ylmethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of 3-methyl-N-(oxolan-2-ylmethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 5310170) is 3-methyl-N-(oxolan-2-ylmethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(oxolan-2-ylmethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for 3-methyl-N-(oxolan-2-ylmethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide is Cc1c(C(=O)NCC2CCCO2)sc2nc(-c3ccccc3)cn12.
What is the InChIKey of 3-methyl-N-(oxolan-2-ylmethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is ILGFXCZXYYSBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12-16(17(22)19-10-14-8-5-9-23-14)24-18-20-15(11-21(12)18)13-6-3-2-4-7-13/h2-4,6-7,11,14H,5,8-10H2,1H3,(H,19,22).
What are the key properties of 3-methyl-N-(oxolan-2-ylmethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
3-methyl-N-(oxolan-2-ylmethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(oxolan-2-ylmethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 5310170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).