N-[4-(7-phenyl-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)phenyl]propanamide

C20H18N4OS — CID 25469745

IUPACN-[4-(7-phenyl-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C2=Nn3cc(-c4ccccc4)nc3SC2)cc1
InChIInChI=1S/C20H18N4OS/c1-2-19(25)21-16-10-8-15(9-11-16)18-13-26-20-22-17(12-24(20)23-18)14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H,21,25)
InChIKeyZJCSNKWMKXZWKG-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.26
Rot. Bonds4

About N-[4-(7-phenyl-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)phenyl]propanamide

N-[4-(7-phenyl-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)phenyl]propanamide (PubChem CID 25469745) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[4-(7-phenyl-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(7-phenyl-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)phenyl]propanamide
PubChem CID25469745
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC NameN-[4-(7-phenyl-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C2=Nn3cc(-c4ccccc4)nc3SC2)cc1
InChIInChI=1S/C20H18N4OS/c1-2-19(25)21-16-10-8-15(9-11-16)18-13-26-20-22-17(12-24(20)23-18)14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H,21,25)
InChIKeyZJCSNKWMKXZWKG-UHFFFAOYSA-N
XLogP4.26
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(7-phenyl-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)phenyl]propanamide?
The IUPAC name of N-[4-(7-phenyl-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)phenyl]propanamide (CID 25469745) is N-[4-(7-phenyl-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)phenyl]propanamide.
What is the SMILES notation for N-[4-(7-phenyl-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)phenyl]propanamide?
The canonical SMILES for N-[4-(7-phenyl-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)phenyl]propanamide is CCC(=O)Nc1ccc(C2=Nn3cc(-c4ccccc4)nc3SC2)cc1.
What is the InChIKey of N-[4-(7-phenyl-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)phenyl]propanamide?
The InChIKey is ZJCSNKWMKXZWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-2-19(25)21-16-10-8-15(9-11-16)18-13-26-20-22-17(12-24(20)23-18)14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H,21,25).
What are the key properties of N-[4-(7-phenyl-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)phenyl]propanamide?
N-[4-(7-phenyl-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)phenyl]propanamide has a molecular weight of 362.46 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-phenyl-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)phenyl]propanamide is sourced from PubChem (CID 25469745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).