[4-(7-phenyl-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone

C20H19N5OS — CID 135882337

IUPAC[4-(7-phenyl-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(C2=Nn3cc(-c4ccccc4)nc3SC2)c[nH]1)N1CCCC1
InChIInChI=1S/C20H19N5OS/c26-19(24-8-4-5-9-24)16-10-15(11-21-16)18-13-27-20-22-17(12-25(20)23-18)14-6-2-1-3-7-14/h1-3,6-7,10-12,21H,4-5,8-9,13H2
InChIKeyWTNNNLRULNYWAB-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.47
Rot. Bonds3

About [4-(7-phenyl-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone

[4-(7-phenyl-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 135882337) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is [4-(7-phenyl-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(7-phenyl-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID135882337
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name[4-(7-phenyl-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(C2=Nn3cc(-c4ccccc4)nc3SC2)c[nH]1)N1CCCC1
InChIInChI=1S/C20H19N5OS/c26-19(24-8-4-5-9-24)16-10-15(11-21-16)18-13-27-20-22-17(12-25(20)23-18)14-6-2-1-3-7-14/h1-3,6-7,10-12,21H,4-5,8-9,13H2
InChIKeyWTNNNLRULNYWAB-UHFFFAOYSA-N
XLogP3.47
TPSA66.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(7-phenyl-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(7-phenyl-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(7-phenyl-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone (CID 135882337) is [4-(7-phenyl-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(7-phenyl-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(7-phenyl-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1cc(C2=Nn3cc(-c4ccccc4)nc3SC2)c[nH]1)N1CCCC1.
What is the InChIKey of [4-(7-phenyl-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is WTNNNLRULNYWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c26-19(24-8-4-5-9-24)16-10-15(11-21-16)18-13-27-20-22-17(12-25(20)23-18)14-6-2-1-3-7-14/h1-3,6-7,10-12,21H,4-5,8-9,13H2.
What are the key properties of [4-(7-phenyl-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
[4-(7-phenyl-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 377.47 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-phenyl-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 135882337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).