N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]benzamide

C20H15N3OS — CID 138504744

IUPACN-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]benzamide
SMILESCc1ccncc1-c1ccc2nc(NC(=O)c3ccccc3)sc2c1
InChIInChI=1S/C20H15N3OS/c1-13-9-10-21-12-16(13)15-7-8-17-18(11-15)25-20(22-17)23-19(24)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23,24)
InChIKeyQJUVQZGMQMNGNZ-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.92
Rot. Bonds3

About N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]benzamide

N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]benzamide (PubChem CID 138504744) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]benzamide
PubChem CID138504744
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC NameN-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]benzamide
SMILESCc1ccncc1-c1ccc2nc(NC(=O)c3ccccc3)sc2c1
InChIInChI=1S/C20H15N3OS/c1-13-9-10-21-12-16(13)15-7-8-17-18(11-15)25-20(22-17)23-19(24)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23,24)
InChIKeyQJUVQZGMQMNGNZ-UHFFFAOYSA-N
XLogP4.92
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]benzamide (CID 138504744) is N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]benzamide is Cc1ccncc1-c1ccc2nc(NC(=O)c3ccccc3)sc2c1.
What is the InChIKey of N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is QJUVQZGMQMNGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3OS/c1-13-9-10-21-12-16(13)15-7-8-17-18(11-15)25-20(22-17)23-19(24)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23,24).
What are the key properties of N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]benzamide?
N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 345.43 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 138504744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).