N-[4-[2-methyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide

C23H19N3OS — CID 11682474

IUPACN-[4-[2-methyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
SMILESCc1cccc(-c2nc(C)sc2-c2ccnc(NC(=O)c3ccccc3)c2)c1
InChIInChI=1S/C23H19N3OS/c1-15-7-6-10-18(13-15)21-22(28-16(2)25-21)19-11-12-24-20(14-19)26-23(27)17-8-4-3-5-9-17/h3-14H,1-2H3,(H,24,26,27)
InChIKeyMJOMJICXDIQFQR-UHFFFAOYSA-N
MW385.49 g/mol
LogP5.74
Rot. Bonds4

About N-[4-[2-methyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide

N-[4-[2-methyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide (PubChem CID 11682474) has the molecular formula C23H19N3OS and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[4-[2-methyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-methyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
PubChem CID11682474
Molecular FormulaC23H19N3OS
Molecular Weight385.49 g/mol
Exact Mass385.12
IUPAC NameN-[4-[2-methyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
SMILESCc1cccc(-c2nc(C)sc2-c2ccnc(NC(=O)c3ccccc3)c2)c1
InChIInChI=1S/C23H19N3OS/c1-15-7-6-10-18(13-15)21-22(28-16(2)25-21)19-11-12-24-20(14-19)26-23(27)17-8-4-3-5-9-17/h3-14H,1-2H3,(H,24,26,27)
InChIKeyMJOMJICXDIQFQR-UHFFFAOYSA-N
XLogP5.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-methyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
The IUPAC name of N-[4-[2-methyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide (CID 11682474) is N-[4-[2-methyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for N-[4-[2-methyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
The canonical SMILES for N-[4-[2-methyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide is Cc1cccc(-c2nc(C)sc2-c2ccnc(NC(=O)c3ccccc3)c2)c1.
What is the InChIKey of N-[4-[2-methyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
The InChIKey is MJOMJICXDIQFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3OS/c1-15-7-6-10-18(13-15)21-22(28-16(2)25-21)19-11-12-24-20(14-19)26-23(27)17-8-4-3-5-9-17/h3-14H,1-2H3,(H,24,26,27).
What are the key properties of N-[4-[2-methyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
N-[4-[2-methyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide has a molecular weight of 385.49 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-methyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 11682474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).