2-bromo-5-chloropyridin-3-amine;N-[(2-bromo-5-chloro-3-pyridinyl)carbamothioyl]benzamide;6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-amine;2,6-dichloro-[1,3]thiazolo[5,4-b]pyridine;N-sulfanylidenebenzamide

C37H24Br2Cl5N11O2S4 — CID 158579275

IUPAC2-bromo-5-chloropyridin-3-amine;N-[(2-bromo-5-chloro-3-pyridinyl)carbamothioyl]benzamide;6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-amine;2,6-dichloro-[1,3]thiazolo[5,4-b]pyridine;N-sulfanylidenebenzamide
SMILESClc1cnc2sc(Cl)nc2c1.Nc1cc(Cl)cnc1Br.Nc1nc2cc(Cl)cnc2s1.O=C(N=S)c1ccccc1.O=C(NC(=S)Nc1cc(Cl)cnc1Br)c1ccccc1
InChIInChI=1S/C13H9BrClN3OS.C7H5NOS.C6H2Cl2N2S.C6H4ClN3S.C5H4BrClN2/c14-11-10(6-9(15)7-16-11)17-13(20)18-12(19)8-4-2-1-3-5-8;9-7(8-10)6-4-2-1-3-5-6;2*7-3-1-4-5(9-2-3)11-6(8)10-4;6-5-4(8)1-3(7)2-9-5/h1-7H,(H2,17,18,19,20);1-5H;1-2H;1-2H,(H2,8,10);1-2H,8H2
InChIKeyHTAWJUFJVZUJQM-UHFFFAOYSA-N
MW1120.01 g/mol
LogP12.19
Rot. Bonds3

About 2-bromo-5-chloropyridin-3-amine;N-[(2-bromo-5-chloro-3-pyridinyl)carbamothioyl]benzamide;6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-amine;2,6-dichloro-[1,3]thiazolo[5,4-b]pyridine;N-sulfanylidenebenzamide

2-bromo-5-chloropyridin-3-amine;N-[(2-bromo-5-chloro-3-pyridinyl)carbamothioyl]benzamide;6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-amine;2,6-dichloro-[1,3]thiazolo[5,4-b]pyridine;N-sulfanylidenebenzamide (PubChem CID 158579275) has the molecular formula C37H24Br2Cl5N11O2S4 and a molecular weight of 1120.01 g/mol. Its IUPAC name is 2-bromo-5-chloropyridin-3-amine;N-[(2-bromo-5-chloro-3-pyridinyl)carbamothioyl]benzamide;6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-amine;2,6-dichloro-[1,3]thiazolo[5,4-b]pyridine;N-sulfanylidenebenzamide.

Molecular Properties

Compound Name2-bromo-5-chloropyridin-3-amine;N-[(2-bromo-5-chloro-3-pyridinyl)carbamothioyl]benzamide;6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-amine;2,6-dichloro-[1,3]thiazolo[5,4-b]pyridine;N-sulfanylidenebenzamide
PubChem CID158579275
Molecular FormulaC37H24Br2Cl5N11O2S4
Molecular Weight1120.01 g/mol
Exact Mass1114.78
IUPAC Name2-bromo-5-chloropyridin-3-amine;N-[(2-bromo-5-chloro-3-pyridinyl)carbamothioyl]benzamide;6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-amine;2,6-dichloro-[1,3]thiazolo[5,4-b]pyridine;N-sulfanylidenebenzamide
SMILESClc1cnc2sc(Cl)nc2c1.Nc1cc(Cl)cnc1Br.Nc1nc2cc(Cl)cnc2s1.O=C(N=S)c1ccccc1.O=C(NC(=S)Nc1cc(Cl)cnc1Br)c1ccccc1
InChIInChI=1S/C13H9BrClN3OS.C7H5NOS.C6H2Cl2N2S.C6H4ClN3S.C5H4BrClN2/c14-11-10(6-9(15)7-16-11)17-13(20)18-12(19)8-4-2-1-3-5-8;9-7(8-10)6-4-2-1-3-5-6;2*7-3-1-4-5(9-2-3)11-6(8)10-4;6-5-4(8)1-3(7)2-9-5/h1-7H,(H2,17,18,19,20);1-5H;1-2H;1-2H,(H2,8,10);1-2H,8H2
InChIKeyHTAWJUFJVZUJQM-UHFFFAOYSA-N
XLogP12.19
TPSA199.94 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001120.01
LogP ≤ 512.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-bromo-5-chloropyridin-3-amine;N-[(2-bromo-5-chloro-3-pyridinyl)carbamothioyl]benzamide;6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-amine;2,6-dichloro-[1,3]thiazolo[5,4-b]pyridine;N-sulfanylidenebenzamide 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 2-bromo-5-chloropyridin-3-amine;N-[(2-bromo-5-chloro-3-pyridinyl)carbamothioyl]benzamide;6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-amine;2,6-dichloro-[1,3]thiazolo[5,4-b]pyridine;N-sulfanylidenebenzamide?
The IUPAC name of 2-bromo-5-chloropyridin-3-amine;N-[(2-bromo-5-chloro-3-pyridinyl)carbamothioyl]benzamide;6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-amine;2,6-dichloro-[1,3]thiazolo[5,4-b]pyridine;N-sulfanylidenebenzamide (CID 158579275) is 2-bromo-5-chloropyridin-3-amine;N-[(2-bromo-5-chloro-3-pyridinyl)carbamothioyl]benzamide;6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-amine;2,6-dichloro-[1,3]thiazolo[5,4-b]pyridine;N-sulfanylidenebenzamide.
What is the SMILES notation for 2-bromo-5-chloropyridin-3-amine;N-[(2-bromo-5-chloro-3-pyridinyl)carbamothioyl]benzamide;6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-amine;2,6-dichloro-[1,3]thiazolo[5,4-b]pyridine;N-sulfanylidenebenzamide?
The canonical SMILES for 2-bromo-5-chloropyridin-3-amine;N-[(2-bromo-5-chloro-3-pyridinyl)carbamothioyl]benzamide;6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-amine;2,6-dichloro-[1,3]thiazolo[5,4-b]pyridine;N-sulfanylidenebenzamide is Clc1cnc2sc(Cl)nc2c1.Nc1cc(Cl)cnc1Br.Nc1nc2cc(Cl)cnc2s1.O=C(N=S)c1ccccc1.O=C(NC(=S)Nc1cc(Cl)cnc1Br)c1ccccc1.
What is the InChIKey of 2-bromo-5-chloropyridin-3-amine;N-[(2-bromo-5-chloro-3-pyridinyl)carbamothioyl]benzamide;6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-amine;2,6-dichloro-[1,3]thiazolo[5,4-b]pyridine;N-sulfanylidenebenzamide?
The InChIKey is HTAWJUFJVZUJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3OS.C7H5NOS.C6H2Cl2N2S.C6H4ClN3S.C5H4BrClN2/c14-11-10(6-9(15)7-16-11)17-13(20)18-12(19)8-4-2-1-3-5-8;9-7(8-10)6-4-2-1-3-5-6;2*7-3-1-4-5(9-2-3)11-6(8)10-4;6-5-4(8)1-3(7)2-9-5/h1-7H,(H2,17,18,19,20);1-5H;1-2H;1-2H,(H2,8,10);1-2H,8H2.
What are the key properties of 2-bromo-5-chloropyridin-3-amine;N-[(2-bromo-5-chloro-3-pyridinyl)carbamothioyl]benzamide;6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-amine;2,6-dichloro-[1,3]thiazolo[5,4-b]pyridine;N-sulfanylidenebenzamide?
2-bromo-5-chloropyridin-3-amine;N-[(2-bromo-5-chloro-3-pyridinyl)carbamothioyl]benzamide;6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-amine;2,6-dichloro-[1,3]thiazolo[5,4-b]pyridine;N-sulfanylidenebenzamide has a molecular weight of 1120.01 g/mol, XLogP of 12.19, 3 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloropyridin-3-amine;N-[(2-bromo-5-chloro-3-pyridinyl)carbamothioyl]benzamide;6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-amine;2,6-dichloro-[1,3]thiazolo[5,4-b]pyridine;N-sulfanylidenebenzamide is sourced from PubChem (CID 158579275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).