N-[6-(4-chloropyridazin-3-yl)oxy-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide

C18H12ClN5O4S — CID 139337371

IUPACN-[6-(4-chloropyridazin-3-yl)oxy-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)Nc2nc3ccc(Oc4nnccc4Cl)cc3s2)c1O
InChIInChI=1S/C18H12ClN5O4S/c1-27-12-5-6-20-14(15(12)25)16(26)23-18-22-11-3-2-9(8-13(11)29-18)28-17-10(19)4-7-21-24-17/h2-8,25H,1H3,(H,22,23,26)
InChIKeyUNQWUTQSHMKPEC-UHFFFAOYSA-N
MW429.85 g/mol
LogP3.89
Rot. Bonds5

About N-[6-(4-chloropyridazin-3-yl)oxy-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide

N-[6-(4-chloropyridazin-3-yl)oxy-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide (PubChem CID 139337371) has the molecular formula C18H12ClN5O4S and a molecular weight of 429.85 g/mol. Its IUPAC name is N-[6-(4-chloropyridazin-3-yl)oxy-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-chloropyridazin-3-yl)oxy-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
PubChem CID139337371
Molecular FormulaC18H12ClN5O4S
Molecular Weight429.85 g/mol
Exact Mass429.03
IUPAC NameN-[6-(4-chloropyridazin-3-yl)oxy-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)Nc2nc3ccc(Oc4nnccc4Cl)cc3s2)c1O
InChIInChI=1S/C18H12ClN5O4S/c1-27-12-5-6-20-14(15(12)25)16(26)23-18-22-11-3-2-9(8-13(11)29-18)28-17-10(19)4-7-21-24-17/h2-8,25H,1H3,(H,22,23,26)
InChIKeyUNQWUTQSHMKPEC-UHFFFAOYSA-N
XLogP3.89
TPSA119.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.85
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[6-(4-chloropyridazin-3-yl)oxy-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide 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

N-[6-[2-(difluoromethoxy)phenoxy]-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 156811591
3-hydroxy-4-methoxy-N-[6-(oxolan-3-yloxy)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide
CID 139337383
[2-[[6-(3,5-difluorophenoxy)-1,3-benzothiazol-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] acetate
CID 139337487
N-[5,7-bis(4-fluorophenoxy)-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 139337352
N-[6-(2-chloro-4-fluorophenoxy)-4-phenyl-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 139337374
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 18854268
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
2-(3,4-dichlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2596997
4-chloro-1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
CID 39855114
4-fluoro-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 87059661
5-bromo-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 1341416
4-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2596981

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chloropyridazin-3-yl)oxy-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide?
The IUPAC name of N-[6-(4-chloropyridazin-3-yl)oxy-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide (CID 139337371) is N-[6-(4-chloropyridazin-3-yl)oxy-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[6-(4-chloropyridazin-3-yl)oxy-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[6-(4-chloropyridazin-3-yl)oxy-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide is COc1ccnc(C(=O)Nc2nc3ccc(Oc4nnccc4Cl)cc3s2)c1O.
What is the InChIKey of N-[6-(4-chloropyridazin-3-yl)oxy-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide?
The InChIKey is UNQWUTQSHMKPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5O4S/c1-27-12-5-6-20-14(15(12)25)16(26)23-18-22-11-3-2-9(8-13(11)29-18)28-17-10(19)4-7-21-24-17/h2-8,25H,1H3,(H,22,23,26).
What are the key properties of N-[6-(4-chloropyridazin-3-yl)oxy-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide?
N-[6-(4-chloropyridazin-3-yl)oxy-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide has a molecular weight of 429.85 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chloropyridazin-3-yl)oxy-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 139337371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).