N,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium-7-carboxamide

C18H16N3OS+ — CID 10947204

IUPACN,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium-7-carboxamide
SMILESO=C(Nc1ccccc1)N1CC[n+]2c(-c3ccccc3)csc21
InChIInChI=1S/C18H15N3OS/c22-17(19-15-9-5-2-6-10-15)21-12-11-20-16(13-23-18(20)21)14-7-3-1-4-8-14/h1-10,13H,11-12H2/p+1
InChIKeyOZXIXVZRHAXBOI-UHFFFAOYSA-O
MW322.41 g/mol
LogP3.75
Rot. Bonds2

About N,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium-7-carboxamide

N,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium-7-carboxamide (PubChem CID 10947204) has the molecular formula C18H16N3OS+ and a molecular weight of 322.41 g/mol. Its IUPAC name is N,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium-7-carboxamide.

Molecular Properties

Compound NameN,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium-7-carboxamide
PubChem CID10947204
Molecular FormulaC18H16N3OS+
Molecular Weight322.41 g/mol
Exact Mass322.10
IUPAC NameN,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium-7-carboxamide
SMILESO=C(Nc1ccccc1)N1CC[n+]2c(-c3ccccc3)csc21
InChIInChI=1S/C18H15N3OS/c22-17(19-15-9-5-2-6-10-15)21-12-11-20-16(13-23-18(20)21)14-7-3-1-4-8-14/h1-10,13H,11-12H2/p+1
InChIKeyOZXIXVZRHAXBOI-UHFFFAOYSA-O
XLogP3.75
TPSA36.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium-7-carboxamide?
The IUPAC name of N,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium-7-carboxamide (CID 10947204) is N,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium-7-carboxamide.
What is the SMILES notation for N,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium-7-carboxamide?
The canonical SMILES for N,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium-7-carboxamide is O=C(Nc1ccccc1)N1CC[n+]2c(-c3ccccc3)csc21.
What is the InChIKey of N,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium-7-carboxamide?
The InChIKey is OZXIXVZRHAXBOI-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H15N3OS/c22-17(19-15-9-5-2-6-10-15)21-12-11-20-16(13-23-18(20)21)14-7-3-1-4-8-14/h1-10,13H,11-12H2/p+1.
What are the key properties of N,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium-7-carboxamide?
N,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium-7-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium-7-carboxamide is sourced from PubChem (CID 10947204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).