N-(6-phenoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide

C19H13N3O2S — CID 2090733

IUPACN-(6-phenoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
SMILESO=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1ccncc1
InChIInChI=1S/C19H13N3O2S/c23-18(13-8-10-20-11-9-13)22-19-21-16-7-6-15(12-17(16)25-19)24-14-4-2-1-3-5-14/h1-12H,(H,21,22,23)
InChIKeyYWWPGHMDHMFQFI-UHFFFAOYSA-N
MW347.40 g/mol
LogP4.74
Rot. Bonds4

About N-(6-phenoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide

N-(6-phenoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide (PubChem CID 2090733) has the molecular formula C19H13N3O2S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-(6-phenoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(6-phenoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
PubChem CID2090733
Molecular FormulaC19H13N3O2S
Molecular Weight347.40 g/mol
Exact Mass347.07
IUPAC NameN-(6-phenoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
SMILESO=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1ccncc1
InChIInChI=1S/C19H13N3O2S/c23-18(13-8-10-20-11-9-13)22-19-21-16-7-6-15(12-17(16)25-19)24-14-4-2-1-3-5-14/h1-12H,(H,21,22,23)
InChIKeyYWWPGHMDHMFQFI-UHFFFAOYSA-N
XLogP4.74
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetamido-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 8749066
3-cyano-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 7948379
(2-benzamido-1,3-benzothiazol-6-yl) benzoate
CID 86658020
3-methyl-4-nitro-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 7948430
3-(dimethylsulfamoyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 4800277
3-phenoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 41235422
2,5-dimethyl-N-(6-phenoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
CID 71890744
N-(6-phenoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 7948425
2,4-dioxo-N-(6-phenoxy-1,3-benzothiazol-2-yl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55822112
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxybenzamide
CID 7543008
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
2-benzamido-1,3-benzothiazole-6-carboxylic acid
CID 19622650

Frequently Asked Questions

What is the IUPAC name of N-(6-phenoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-(6-phenoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide (CID 2090733) is N-(6-phenoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(6-phenoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(6-phenoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide is O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1ccncc1.
What is the InChIKey of N-(6-phenoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is YWWPGHMDHMFQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2S/c23-18(13-8-10-20-11-9-13)22-19-21-16-7-6-15(12-17(16)25-19)24-14-4-2-1-3-5-14/h1-12H,(H,21,22,23).
What are the key properties of N-(6-phenoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
N-(6-phenoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-phenoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 2090733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).