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

C23H19N3OS — CID 11531118

IUPACN-[4-(2-ethyl-4-phenyl-1,3-thiazol-5-yl)-2-pyridinyl]benzamide
SMILESCCc1nc(-c2ccccc2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1
InChIInChI=1S/C23H19N3OS/c1-2-20-26-21(16-9-5-3-6-10-16)22(28-20)18-13-14-24-19(15-18)25-23(27)17-11-7-4-8-12-17/h3-15H,2H2,1H3,(H,24,25,27)
InChIKeyDECZCOPVWLZZLC-UHFFFAOYSA-N
MW385.49 g/mol
LogP5.69
Rot. Bonds5

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

N-[4-(2-ethyl-4-phenyl-1,3-thiazol-5-yl)-2-pyridinyl]benzamide (PubChem CID 11531118) has the molecular formula C23H19N3OS and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[4-(2-ethyl-4-phenyl-1,3-thiazol-5-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[4-(2-ethyl-4-phenyl-1,3-thiazol-5-yl)-2-pyridinyl]benzamide
PubChem CID11531118
Molecular FormulaC23H19N3OS
Molecular Weight385.49 g/mol
Exact Mass385.12
IUPAC NameN-[4-(2-ethyl-4-phenyl-1,3-thiazol-5-yl)-2-pyridinyl]benzamide
SMILESCCc1nc(-c2ccccc2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1
InChIInChI=1S/C23H19N3OS/c1-2-20-26-21(16-9-5-3-6-10-16)22(28-20)18-13-14-24-19(15-18)25-23(27)17-11-7-4-8-12-17/h3-15H,2H2,1H3,(H,24,25,27)
InChIKeyDECZCOPVWLZZLC-UHFFFAOYSA-N
XLogP5.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethyl-4-phenyl-1,3-thiazol-5-yl)-2-pyridinyl]benzamide?
The IUPAC name of N-[4-(2-ethyl-4-phenyl-1,3-thiazol-5-yl)-2-pyridinyl]benzamide (CID 11531118) is N-[4-(2-ethyl-4-phenyl-1,3-thiazol-5-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-[4-(2-ethyl-4-phenyl-1,3-thiazol-5-yl)-2-pyridinyl]benzamide?
The canonical SMILES for N-[4-(2-ethyl-4-phenyl-1,3-thiazol-5-yl)-2-pyridinyl]benzamide is CCc1nc(-c2ccccc2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1.
What is the InChIKey of N-[4-(2-ethyl-4-phenyl-1,3-thiazol-5-yl)-2-pyridinyl]benzamide?
The InChIKey is DECZCOPVWLZZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3OS/c1-2-20-26-21(16-9-5-3-6-10-16)22(28-20)18-13-14-24-19(15-18)25-23(27)17-11-7-4-8-12-17/h3-15H,2H2,1H3,(H,24,25,27).
What are the key properties of N-[4-(2-ethyl-4-phenyl-1,3-thiazol-5-yl)-2-pyridinyl]benzamide?
N-[4-(2-ethyl-4-phenyl-1,3-thiazol-5-yl)-2-pyridinyl]benzamide has a molecular weight of 385.49 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethyl-4-phenyl-1,3-thiazol-5-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 11531118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).