N-(4-bromo-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide

C17H15BrN4O2S — CID 137462568

IUPACN-(4-bromo-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
SMILESO=C(Nc1nc2c(Br)ncc(N3CCOCC3)c2s1)c1ccccc1
InChIInChI=1S/C17H15BrN4O2S/c18-15-13-14(12(10-19-15)22-6-8-24-9-7-22)25-17(20-13)21-16(23)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,20,21,23)
InChIKeyQNCYXBXIVHHDNI-UHFFFAOYSA-N
MW419.30 g/mol
LogP3.54
Rot. Bonds3

About N-(4-bromo-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide

N-(4-bromo-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide (PubChem CID 137462568) has the molecular formula C17H15BrN4O2S and a molecular weight of 419.30 g/mol. Its IUPAC name is N-(4-bromo-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-bromo-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
PubChem CID137462568
Molecular FormulaC17H15BrN4O2S
Molecular Weight419.30 g/mol
Exact Mass418.01
IUPAC NameN-(4-bromo-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
SMILESO=C(Nc1nc2c(Br)ncc(N3CCOCC3)c2s1)c1ccccc1
InChIInChI=1S/C17H15BrN4O2S/c18-15-13-14(12(10-19-15)22-6-8-24-9-7-22)25-17(20-13)21-16(23)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,20,21,23)
InChIKeyQNCYXBXIVHHDNI-UHFFFAOYSA-N
XLogP3.54
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.30
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(4-bromo-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrole-3-carboxamide
CID 146653113
1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrazole-4-carboxamide
CID 137474685
N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-methyl-1,3-oxazole-5-carboxamide
CID 137462557
N-(1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405947
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 16644485
N-(4-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 155519709
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-phenylbenzamide
CID 40613052
2-[benzyl(methyl)amino]-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 10217629
N-(7-bromo-6-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
CID 142524471
N-(7-bromo-6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
CID 171486825
N-(4-bromo-1,3-benzothiazol-2-yl)benzamide
CID 7202695
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 7192494

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide?
The IUPAC name of N-(4-bromo-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide (CID 137462568) is N-(4-bromo-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide.
What is the SMILES notation for N-(4-bromo-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide?
The canonical SMILES for N-(4-bromo-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide is O=C(Nc1nc2c(Br)ncc(N3CCOCC3)c2s1)c1ccccc1.
What is the InChIKey of N-(4-bromo-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide?
The InChIKey is QNCYXBXIVHHDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O2S/c18-15-13-14(12(10-19-15)22-6-8-24-9-7-22)25-17(20-13)21-16(23)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,20,21,23).
What are the key properties of N-(4-bromo-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide?
N-(4-bromo-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide has a molecular weight of 419.30 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide is sourced from PubChem (CID 137462568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).