N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]furan-2-carboxamide

C16H13N3O2S — CID 2813253

IUPACN-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1ccco1
InChIInChI=1S/C16H13N3O2S/c20-15(14-2-1-8-21-14)17-12-5-3-11(4-6-12)13-10-19-7-9-22-16(19)18-13/h1-6,8,10H,7,9H2,(H,17,20)
InChIKeyRNEQFYNYAJUDCU-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.50
Rot. Bonds3

About N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]furan-2-carboxamide

N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]furan-2-carboxamide (PubChem CID 2813253) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]furan-2-carboxamide
PubChem CID2813253
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC NameN-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1ccco1
InChIInChI=1S/C16H13N3O2S/c20-15(14-2-1-8-21-14)17-12-5-3-11(4-6-12)13-10-19-7-9-22-16(19)18-13/h1-6,8,10H,7,9H2,(H,17,20)
InChIKeyRNEQFYNYAJUDCU-UHFFFAOYSA-N
XLogP3.50
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]furan-2-carboxamide (CID 2813253) is N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1ccco1.
What is the InChIKey of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]furan-2-carboxamide?
The InChIKey is RNEQFYNYAJUDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c20-15(14-2-1-8-21-14)17-12-5-3-11(4-6-12)13-10-19-7-9-22-16(19)18-13/h1-6,8,10H,7,9H2,(H,17,20).
What are the key properties of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]furan-2-carboxamide?
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]furan-2-carboxamide has a molecular weight of 311.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 2813253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).