N-(7-bicyclo[4.1.0]heptanyl)-N'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)oxamide

C19H19N3O2S — CID 167863589

IUPACN-(7-bicyclo[4.1.0]heptanyl)-N'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)oxamide
SMILESO=C(Nc1nc2c(s1)Cc1ccccc1-2)C(=O)NC1C2CCCCC21
InChIInChI=1S/C19H19N3O2S/c23-17(20-15-12-7-3-4-8-13(12)15)18(24)22-19-21-16-11-6-2-1-5-10(11)9-14(16)25-19/h1-2,5-6,12-13,15H,3-4,7-9H2,(H,20,23)(H,21,22,24)
InChIKeyDYWUSFATTZTDHK-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.96
Rot. Bonds2

About N-(7-bicyclo[4.1.0]heptanyl)-N'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)oxamide

N-(7-bicyclo[4.1.0]heptanyl)-N'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)oxamide (PubChem CID 167863589) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(7-bicyclo[4.1.0]heptanyl)-N'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-(7-bicyclo[4.1.0]heptanyl)-N'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)oxamide
PubChem CID167863589
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-(7-bicyclo[4.1.0]heptanyl)-N'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)oxamide
SMILESO=C(Nc1nc2c(s1)Cc1ccccc1-2)C(=O)NC1C2CCCCC21
InChIInChI=1S/C19H19N3O2S/c23-17(20-15-12-7-3-4-8-13(12)15)18(24)22-19-21-16-11-6-2-1-5-10(11)9-14(16)25-19/h1-2,5-6,12-13,15H,3-4,7-9H2,(H,20,23)(H,21,22,24)
InChIKeyDYWUSFATTZTDHK-UHFFFAOYSA-N
XLogP2.96
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.1.0]heptanyl)-N'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)oxamide?
The IUPAC name of N-(7-bicyclo[4.1.0]heptanyl)-N'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)oxamide (CID 167863589) is N-(7-bicyclo[4.1.0]heptanyl)-N'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)oxamide.
What is the SMILES notation for N-(7-bicyclo[4.1.0]heptanyl)-N'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)oxamide?
The canonical SMILES for N-(7-bicyclo[4.1.0]heptanyl)-N'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)oxamide is O=C(Nc1nc2c(s1)Cc1ccccc1-2)C(=O)NC1C2CCCCC21.
What is the InChIKey of N-(7-bicyclo[4.1.0]heptanyl)-N'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)oxamide?
The InChIKey is DYWUSFATTZTDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-17(20-15-12-7-3-4-8-13(12)15)18(24)22-19-21-16-11-6-2-1-5-10(11)9-14(16)25-19/h1-2,5-6,12-13,15H,3-4,7-9H2,(H,20,23)(H,21,22,24).
What are the key properties of N-(7-bicyclo[4.1.0]heptanyl)-N'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)oxamide?
N-(7-bicyclo[4.1.0]heptanyl)-N'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)oxamide has a molecular weight of 353.45 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.1.0]heptanyl)-N'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)oxamide is sourced from PubChem (CID 167863589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).