N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]pyridine-4-carboxamide

C20H15N3OS — CID 4793591

IUPACN-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1ccncc1
InChIInChI=1S/C20H15N3OS/c24-20(15-9-11-21-12-10-15)22-16-7-5-14(6-8-16)13-19-23-17-3-1-2-4-18(17)25-19/h1-12H,13H2,(H,22,24)
InChIKeyNARMIPCBKCTYDL-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.53
Rot. Bonds4

About N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]pyridine-4-carboxamide

N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]pyridine-4-carboxamide (PubChem CID 4793591) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]pyridine-4-carboxamide
PubChem CID4793591
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC NameN-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1ccncc1
InChIInChI=1S/C20H15N3OS/c24-20(15-9-11-21-12-10-15)22-16-7-5-14(6-8-16)13-19-23-17-3-1-2-4-18(17)25-19/h1-12H,13H2,(H,22,24)
InChIKeyNARMIPCBKCTYDL-UHFFFAOYSA-N
XLogP4.53
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]pyridine-4-carboxamide (CID 4793591) is N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]pyridine-4-carboxamide is O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1ccncc1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is NARMIPCBKCTYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3OS/c24-20(15-9-11-21-12-10-15)22-16-7-5-14(6-8-16)13-19-23-17-3-1-2-4-18(17)25-19/h1-12H,13H2,(H,22,24).
What are the key properties of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]pyridine-4-carboxamide?
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]pyridine-4-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 4793591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).