CID 90143075

C13H13BrN2OS2 — CID 90143075

IUPAC—
SMILESO=C1Nc2ncc(Br)cc2CC12CC1(C2)SCCS1
InChIInChI=1S/C13H13BrN2OS2/c14-9-3-8-4-12(11(17)16-10(8)15-5-9)6-13(7-12)18-1-2-19-13/h3,5H,1-2,4,6-7H2,(H,15,16,17)
InChIKeyGWLXVYBXPSOSQC-UHFFFAOYSA-N
MW357.30 g/mol
LogP3.30
Rot. Bonds

About CID 90143075

CID 90143075 (PubChem CID 90143075) has the molecular formula C13H13BrN2OS2 and a molecular weight of 357.30 g/mol.

Molecular Properties

Compound NameCID 90143075
PubChem CID90143075
Molecular FormulaC13H13BrN2OS2
Molecular Weight357.30 g/mol
Exact Mass355.97
IUPAC Name—
SMILESO=C1Nc2ncc(Br)cc2CC12CC1(C2)SCCS1
InChIInChI=1S/C13H13BrN2OS2/c14-9-3-8-4-12(11(17)16-10(8)15-5-9)6-13(7-12)18-1-2-19-13/h3,5H,1-2,4,6-7H2,(H,15,16,17)
InChIKeyGWLXVYBXPSOSQC-UHFFFAOYSA-N
XLogP3.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze CID 90143075 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 CID 90143075?
The IUPAC name of CID 90143075 (CID 90143075) is not available.
What is the SMILES notation for CID 90143075?
The canonical SMILES for CID 90143075 is O=C1Nc2ncc(Br)cc2CC12CC1(C2)SCCS1.
What is the InChIKey of CID 90143075?
The InChIKey is GWLXVYBXPSOSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS2/c14-9-3-8-4-12(11(17)16-10(8)15-5-9)6-13(7-12)18-1-2-19-13/h3,5H,1-2,4,6-7H2,(H,15,16,17).
What are the key properties of CID 90143075?
CID 90143075 has a molecular weight of 357.30 g/mol, XLogP of 3.30, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90143075 is sourced from PubChem (CID 90143075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).