N-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide

C21H18N4O2S — CID 22040960

IUPACN-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3sc(Nc4ccc(C)cc4)nc3c2)ccn1
InChIInChI=1S/C21H18N4O2S/c1-13-3-5-14(6-4-13)24-21-25-17-11-15(7-8-19(17)28-21)27-16-9-10-23-18(12-16)20(26)22-2/h3-12H,1-2H3,(H,22,26)(H,24,25)
InChIKeyOQHDANFEHJZHFU-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.90
Rot. Bonds5

About N-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide

N-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide (PubChem CID 22040960) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide
PubChem CID22040960
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC NameN-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3sc(Nc4ccc(C)cc4)nc3c2)ccn1
InChIInChI=1S/C21H18N4O2S/c1-13-3-5-14(6-4-13)24-21-25-17-11-15(7-8-19(17)28-21)27-16-9-10-23-18(12-16)20(26)22-2/h3-12H,1-2H3,(H,22,26)(H,24,25)
InChIKeyOQHDANFEHJZHFU-UHFFFAOYSA-N
XLogP4.90
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide (CID 22040960) is N-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3sc(Nc4ccc(C)cc4)nc3c2)ccn1.
What is the InChIKey of N-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide?
The InChIKey is OQHDANFEHJZHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-13-3-5-14(6-4-13)24-21-25-17-11-15(7-8-19(17)28-21)27-16-9-10-23-18(12-16)20(26)22-2/h3-12H,1-2H3,(H,22,26)(H,24,25).
What are the key properties of N-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide?
N-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide is sourced from PubChem (CID 22040960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).