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

C17H13N3O2S — CID 42270200

IUPACN-(furan-2-ylmethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(NCc1ccco1)c1csc2nc(-c3ccccc3)cn12
InChIInChI=1S/C17H13N3O2S/c21-16(18-9-13-7-4-8-22-13)15-11-23-17-19-14(10-20(15)17)12-5-2-1-3-6-12/h1-8,10-11H,9H2,(H,18,21)
InChIKeyHMLWHJBJALLLEC-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.59
Rot. Bonds4

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

N-(furan-2-ylmethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42270200) has the molecular formula C17H13N3O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42270200
Molecular FormulaC17H13N3O2S
Molecular Weight323.38 g/mol
Exact Mass323.07
IUPAC NameN-(furan-2-ylmethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(NCc1ccco1)c1csc2nc(-c3ccccc3)cn12
InChIInChI=1S/C17H13N3O2S/c21-16(18-9-13-7-4-8-22-13)15-11-23-17-19-14(10-20(15)17)12-5-2-1-3-6-12/h1-8,10-11H,9H2,(H,18,21)
InChIKeyHMLWHJBJALLLEC-UHFFFAOYSA-N
XLogP3.59
TPSA59.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42270200) is N-(furan-2-ylmethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide is O=C(NCc1ccco1)c1csc2nc(-c3ccccc3)cn12.
What is the InChIKey of N-(furan-2-ylmethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is HMLWHJBJALLLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S/c21-16(18-9-13-7-4-8-22-13)15-11-23-17-19-14(10-20(15)17)12-5-2-1-3-6-12/h1-8,10-11H,9H2,(H,18,21).
What are the key properties of N-(furan-2-ylmethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-(furan-2-ylmethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 323.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42270200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).