CID 134800351

C15H18FN5O3S — CID 134800351

IUPAC—
SMILESC[S+](=O)([O-])NCc1nnc2n1C(C(=O)NCc1ccccc1F)CC2
InChIInChI=1S/C15H18FN5O3S/c1-25(23,24)18-9-14-20-19-13-7-6-12(21(13)14)15(22)17-8-10-4-2-3-5-11(10)16/h2-5,12H,6-9H2,1H3,(H2-,17,18,22,23,24)
InChIKeyAXOGIBJGKPPTEO-UHFFFAOYSA-N
MW367.41 g/mol
LogP0.49
Rot. Bonds6

About CID 134800351

CID 134800351 (PubChem CID 134800351) has the molecular formula C15H18FN5O3S and a molecular weight of 367.41 g/mol.

Molecular Properties

Compound NameCID 134800351
PubChem CID134800351
Molecular FormulaC15H18FN5O3S
Molecular Weight367.41 g/mol
Exact Mass367.11
IUPAC Name—
SMILESC[S+](=O)([O-])NCc1nnc2n1C(C(=O)NCc1ccccc1F)CC2
InChIInChI=1S/C15H18FN5O3S/c1-25(23,24)18-9-14-20-19-13-7-6-12(21(13)14)15(22)17-8-10-4-2-3-5-11(10)16/h2-5,12H,6-9H2,1H3,(H2-,17,18,22,23,24)
InChIKeyAXOGIBJGKPPTEO-UHFFFAOYSA-N
XLogP0.49
TPSA111.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 134800351?
The IUPAC name of CID 134800351 (CID 134800351) is not available.
What is the SMILES notation for CID 134800351?
The canonical SMILES for CID 134800351 is C[S+](=O)([O-])NCc1nnc2n1C(C(=O)NCc1ccccc1F)CC2.
What is the InChIKey of CID 134800351?
The InChIKey is AXOGIBJGKPPTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O3S/c1-25(23,24)18-9-14-20-19-13-7-6-12(21(13)14)15(22)17-8-10-4-2-3-5-11(10)16/h2-5,12H,6-9H2,1H3,(H2-,17,18,22,23,24).
What are the key properties of CID 134800351?
CID 134800351 has a molecular weight of 367.41 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134800351 is sourced from PubChem (CID 134800351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).