CID 134793301

C19H20N4O2S — CID 134793301

IUPAC—
SMILESN#Cc1ccc(CN2CCC3(CN[S+](=O)([O-])c4ccccc4N3)C2)cc1
InChIInChI=1S/C19H20N4O2S/c20-11-15-5-7-16(8-6-15)12-23-10-9-19(14-23)13-21-26(24,25)18-4-2-1-3-17(18)22-19/h1-8,22H,9-10,12-14H2,(H-,21,24,25)
InChIKeyQDVVRZHOVXVWNA-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.12
Rot. Bonds2

About CID 134793301

CID 134793301 (PubChem CID 134793301) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol.

Molecular Properties

Compound NameCID 134793301
PubChem CID134793301
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name—
SMILESN#Cc1ccc(CN2CCC3(CN[S+](=O)([O-])c4ccccc4N3)C2)cc1
InChIInChI=1S/C19H20N4O2S/c20-11-15-5-7-16(8-6-15)12-23-10-9-19(14-23)13-21-26(24,25)18-4-2-1-3-17(18)22-19/h1-8,22H,9-10,12-14H2,(H-,21,24,25)
InChIKeyQDVVRZHOVXVWNA-UHFFFAOYSA-N
XLogP2.12
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134793301?
The IUPAC name of CID 134793301 (CID 134793301) is not available.
What is the SMILES notation for CID 134793301?
The canonical SMILES for CID 134793301 is N#Cc1ccc(CN2CCC3(CN[S+](=O)([O-])c4ccccc4N3)C2)cc1.
What is the InChIKey of CID 134793301?
The InChIKey is QDVVRZHOVXVWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c20-11-15-5-7-16(8-6-15)12-23-10-9-19(14-23)13-21-26(24,25)18-4-2-1-3-17(18)22-19/h1-8,22H,9-10,12-14H2,(H-,21,24,25).
What are the key properties of CID 134793301?
CID 134793301 has a molecular weight of 368.46 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134793301 is sourced from PubChem (CID 134793301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).