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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Related Compounds

Furan-2-carboxylic acid (4-phenyl-5-pyridin-4-yl-thiazol-2-yl)-amide
CID 72197880
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-furamide
CID 2813253
N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-1-benzofuran-2-carboxamide
CID 25232347
2-(3-Benzyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 646123
N-(2-furanylmethyl)-4-(2-methyl-3-imidazo[1,2-a]pyridinyl)-2-thiazolamine
CID 697312
N-(furan-2-ylmethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 883342
N-(furan-2-ylmethyl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 894506
2-[5-(4-Fluoro-phenyl)-1-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-N-furan-2-ylmethyl-acetamide
CID 1139039
N-(2-furylmethyl)-2-[(5-phenyl[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)thio]acetamide
CID 1179266
N-(2-furylmethyl)-2-{[5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]thio}acetamide
CID 1179302
N-(4-tert-Butyl-thiazol-2-yl)-2-[1-furan-2-ylmethyl-5-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-acetamide
CID 1451092
2-(4-Furan-2-ylmethyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 1733898

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).