2-(1,2-benzoxazol-3-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)acetamide

C18H14N4O2S — CID 31519531

IUPAC2-(1,2-benzoxazol-3-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)Cc2noc3ccccc23)sc1-c1ccccn1
InChIInChI=1S/C18H14N4O2S/c1-11-17(13-7-4-5-9-19-13)25-18(20-11)21-16(23)10-14-12-6-2-3-8-15(12)24-22-14/h2-9H,10H2,1H3,(H,20,21,23)
InChIKeyOPAVOMIXUMAJDS-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.84
Rot. Bonds4

About 2-(1,2-benzoxazol-3-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 31519531) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID31519531
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)Cc2noc3ccccc23)sc1-c1ccccn1
InChIInChI=1S/C18H14N4O2S/c1-11-17(13-7-4-5-9-19-13)25-18(20-11)21-16(23)10-14-12-6-2-3-8-15(12)24-22-14/h2-9H,10H2,1H3,(H,20,21,23)
InChIKeyOPAVOMIXUMAJDS-UHFFFAOYSA-N
XLogP3.84
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,2-benzoxazol-3-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)acetamide (CID 31519531) is 2-(1,2-benzoxazol-3-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)acetamide is Cc1nc(NC(=O)Cc2noc3ccccc23)sc1-c1ccccn1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is OPAVOMIXUMAJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c1-11-17(13-7-4-5-9-19-13)25-18(20-11)21-16(23)10-14-12-6-2-3-8-15(12)24-22-14/h2-9H,10H2,1H3,(H,20,21,23).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 350.40 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 31519531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).