3-hydroxy-4-methoxy-N-[6-(oxolan-3-yloxy)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide

C18H17N3O5S — CID 139337383

IUPAC3-hydroxy-4-methoxy-N-[6-(oxolan-3-yloxy)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)Nc2nc3ccc(OC4CCOC4)cc3s2)c1O
InChIInChI=1S/C18H17N3O5S/c1-24-13-4-6-19-15(16(13)22)17(23)21-18-20-12-3-2-10(8-14(12)27-18)26-11-5-7-25-9-11/h2-4,6,8,11,22H,5,7,9H2,1H3,(H,20,21,23)
InChIKeyYKNMCISCUPAUMT-UHFFFAOYSA-N
MW387.42 g/mol
LogP2.83
Rot. Bonds5

About 3-hydroxy-4-methoxy-N-[6-(oxolan-3-yloxy)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide

3-hydroxy-4-methoxy-N-[6-(oxolan-3-yloxy)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide (PubChem CID 139337383) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-[6-(oxolan-3-yloxy)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-N-[6-(oxolan-3-yloxy)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide
PubChem CID139337383
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC Name3-hydroxy-4-methoxy-N-[6-(oxolan-3-yloxy)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)Nc2nc3ccc(OC4CCOC4)cc3s2)c1O
InChIInChI=1S/C18H17N3O5S/c1-24-13-4-6-19-15(16(13)22)17(23)21-18-20-12-3-2-10(8-14(12)27-18)26-11-5-7-25-9-11/h2-4,6,8,11,22H,5,7,9H2,1H3,(H,20,21,23)
InChIKeyYKNMCISCUPAUMT-UHFFFAOYSA-N
XLogP2.83
TPSA102.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-(4-chloropyridazin-3-yl)oxy-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 139337371
N-[6-[2-(difluoromethoxy)phenoxy]-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 156811591
N-[4-(4,4-dimethylcyclohexyl)oxyphenyl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 129104491
[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-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 863482
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
4-fluoro-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 87059661
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 55436056
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 739502
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 142948743
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-oxazole-5-carboxamide
CID 110702338

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-N-[6-(oxolan-3-yloxy)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-4-methoxy-N-[6-(oxolan-3-yloxy)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide (CID 139337383) is 3-hydroxy-4-methoxy-N-[6-(oxolan-3-yloxy)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-4-methoxy-N-[6-(oxolan-3-yloxy)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-4-methoxy-N-[6-(oxolan-3-yloxy)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide is COc1ccnc(C(=O)Nc2nc3ccc(OC4CCOC4)cc3s2)c1O.
What is the InChIKey of 3-hydroxy-4-methoxy-N-[6-(oxolan-3-yloxy)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is YKNMCISCUPAUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c1-24-13-4-6-19-15(16(13)22)17(23)21-18-20-12-3-2-10(8-14(12)27-18)26-11-5-7-25-9-11/h2-4,6,8,11,22H,5,7,9H2,1H3,(H,20,21,23).
What are the key properties of 3-hydroxy-4-methoxy-N-[6-(oxolan-3-yloxy)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide?
3-hydroxy-4-methoxy-N-[6-(oxolan-3-yloxy)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 387.42 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-N-[6-(oxolan-3-yloxy)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 139337383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).