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

C16H13N3OS — CID 22049680

IUPAC4-[2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-yl]benzamide
SMILESCc1ccncc1-c1nc(-c2ccc(C(N)=O)cc2)cs1
InChIInChI=1S/C16H13N3OS/c1-10-6-7-18-8-13(10)16-19-14(9-21-16)11-2-4-12(5-3-11)15(17)20/h2-9H,1H3,(H2,17,20)
InChIKeyOTLWCKDJXGCTET-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.28
Rot. Bonds3

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

4-[2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-yl]benzamide (PubChem CID 22049680) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 4-[2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-yl]benzamide.

Molecular Properties

Compound Name4-[2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-yl]benzamide
PubChem CID22049680
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name4-[2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-yl]benzamide
SMILESCc1ccncc1-c1nc(-c2ccc(C(N)=O)cc2)cs1
InChIInChI=1S/C16H13N3OS/c1-10-6-7-18-8-13(10)16-19-14(9-21-16)11-2-4-12(5-3-11)15(17)20/h2-9H,1H3,(H2,17,20)
InChIKeyOTLWCKDJXGCTET-UHFFFAOYSA-N
XLogP3.28
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-yl]benzamide?
The IUPAC name of 4-[2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-yl]benzamide (CID 22049680) is 4-[2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-yl]benzamide.
What is the SMILES notation for 4-[2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-yl]benzamide?
The canonical SMILES for 4-[2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-yl]benzamide is Cc1ccncc1-c1nc(-c2ccc(C(N)=O)cc2)cs1.
What is the InChIKey of 4-[2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-yl]benzamide?
The InChIKey is OTLWCKDJXGCTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-10-6-7-18-8-13(10)16-19-14(9-21-16)11-2-4-12(5-3-11)15(17)20/h2-9H,1H3,(H2,17,20).
What are the key properties of 4-[2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-yl]benzamide?
4-[2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-yl]benzamide has a molecular weight of 295.37 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-yl]benzamide is sourced from PubChem (CID 22049680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).