N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]pyridine-4-carboxamide

C19H13N3O2S — CID 2880745

IUPACN-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1ccncc1
InChIInChI=1S/C19H13N3O2S/c23-16-11-13(21-18(24)12-7-9-20-10-8-12)5-6-14(16)19-22-15-3-1-2-4-17(15)25-19/h1-11,23H,(H,21,24)
InChIKeyQUCXUDXKHSAZBZ-UHFFFAOYSA-N
MW347.40 g/mol
LogP4.32
Rot. Bonds3

About N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]pyridine-4-carboxamide

N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]pyridine-4-carboxamide (PubChem CID 2880745) has the molecular formula C19H13N3O2S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]pyridine-4-carboxamide
PubChem CID2880745
Molecular FormulaC19H13N3O2S
Molecular Weight347.40 g/mol
Exact Mass347.07
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1ccncc1
InChIInChI=1S/C19H13N3O2S/c23-16-11-13(21-18(24)12-7-9-20-10-8-12)5-6-14(16)19-22-15-3-1-2-4-17(15)25-19/h1-11,23H,(H,21,24)
InChIKeyQUCXUDXKHSAZBZ-UHFFFAOYSA-N
XLogP4.32
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]pyridine-4-carboxamide (CID 2880745) is N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]pyridine-4-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1ccncc1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]pyridine-4-carboxamide?
The InChIKey is QUCXUDXKHSAZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2S/c23-16-11-13(21-18(24)12-7-9-20-10-8-12)5-6-14(16)19-22-15-3-1-2-4-17(15)25-19/h1-11,23H,(H,21,24).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]pyridine-4-carboxamide?
N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]pyridine-4-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 2880745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).