(6S)-7'-bromo-3'-chloro-1'-fluorospiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-2-amine

C15H10BrClFN3OS — CID 90156588

IUPAC(6S)-7'-bromo-3'-chloro-1'-fluorospiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-2-amine
SMILESNC1=NCC[C@]2(S1)c1cc(Br)ccc1Oc1c2cc(Cl)nc1F
InChIInChI=1S/C15H10BrClFN3OS/c16-7-1-2-10-8(5-7)15(3-4-20-14(19)23-15)9-6-11(17)21-13(18)12(9)22-10/h1-2,5-6H,3-4H2,(H2,19,20)/t15-/m0/s1
InChIKeySWVTVTZQFAVIQP-HNNXBMFYSA-N
MW414.69 g/mol
LogP4.44
Rot. Bonds

About (6S)-7'-bromo-3'-chloro-1'-fluorospiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-2-amine

(6S)-7'-bromo-3'-chloro-1'-fluorospiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-2-amine (PubChem CID 90156588) has the molecular formula C15H10BrClFN3OS and a molecular weight of 414.69 g/mol. Its IUPAC name is (6S)-7'-bromo-3'-chloro-1'-fluorospiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-2-amine.

Molecular Properties

Compound Name(6S)-7'-bromo-3'-chloro-1'-fluorospiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-2-amine
PubChem CID90156588
Molecular FormulaC15H10BrClFN3OS
Molecular Weight414.69 g/mol
Exact Mass412.94
IUPAC Name(6S)-7'-bromo-3'-chloro-1'-fluorospiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-2-amine
SMILESNC1=NCC[C@]2(S1)c1cc(Br)ccc1Oc1c2cc(Cl)nc1F
InChIInChI=1S/C15H10BrClFN3OS/c16-7-1-2-10-8(5-7)15(3-4-20-14(19)23-15)9-6-11(17)21-13(18)12(9)22-10/h1-2,5-6H,3-4H2,(H2,19,20)/t15-/m0/s1
InChIKeySWVTVTZQFAVIQP-HNNXBMFYSA-N
XLogP4.44
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.69
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (6S)-7'-bromo-3'-chloro-1'-fluorospiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-2-amine 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 (6S)-7'-bromo-3'-chloro-1'-fluorospiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-2-amine?
The IUPAC name of (6S)-7'-bromo-3'-chloro-1'-fluorospiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-2-amine (CID 90156588) is (6S)-7'-bromo-3'-chloro-1'-fluorospiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-2-amine.
What is the SMILES notation for (6S)-7'-bromo-3'-chloro-1'-fluorospiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-2-amine?
The canonical SMILES for (6S)-7'-bromo-3'-chloro-1'-fluorospiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-2-amine is NC1=NCC[C@]2(S1)c1cc(Br)ccc1Oc1c2cc(Cl)nc1F.
What is the InChIKey of (6S)-7'-bromo-3'-chloro-1'-fluorospiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-2-amine?
The InChIKey is SWVTVTZQFAVIQP-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H10BrClFN3OS/c16-7-1-2-10-8(5-7)15(3-4-20-14(19)23-15)9-6-11(17)21-13(18)12(9)22-10/h1-2,5-6H,3-4H2,(H2,19,20)/t15-/m0/s1.
What are the key properties of (6S)-7'-bromo-3'-chloro-1'-fluorospiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-2-amine?
(6S)-7'-bromo-3'-chloro-1'-fluorospiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-2-amine has a molecular weight of 414.69 g/mol, XLogP of 4.44, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-7'-bromo-3'-chloro-1'-fluorospiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-2-amine is sourced from PubChem (CID 90156588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).