3-phenylmethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

C22H17N3O2S — CID 26203066

IUPAC3-phenylmethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C22H17N3O2S/c26-21(25-22-24-20(15-28-22)19-11-4-5-12-23-19)17-9-6-10-18(13-17)27-14-16-7-2-1-3-8-16/h1-13,15H,14H2,(H,24,25,26)
InChIKeyZSXWIXSDKMTRFI-UHFFFAOYSA-N
MW387.46 g/mol
LogP5.04
Rot. Bonds6

About 3-phenylmethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

3-phenylmethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 26203066) has the molecular formula C22H17N3O2S and a molecular weight of 387.46 g/mol. Its IUPAC name is 3-phenylmethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-phenylmethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID26203066
Molecular FormulaC22H17N3O2S
Molecular Weight387.46 g/mol
Exact Mass387.10
IUPAC Name3-phenylmethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C22H17N3O2S/c26-21(25-22-24-20(15-28-22)19-11-4-5-12-23-19)17-9-6-10-18(13-17)27-14-16-7-2-1-3-8-16/h1-13,15H,14H2,(H,24,25,26)
InChIKeyZSXWIXSDKMTRFI-UHFFFAOYSA-N
XLogP5.04
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.46
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-phenylmethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 26203066) is 3-phenylmethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-phenylmethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-phenylmethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccccn2)cs1)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 3-phenylmethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is ZSXWIXSDKMTRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2S/c26-21(25-22-24-20(15-28-22)19-11-4-5-12-23-19)17-9-6-10-18(13-17)27-14-16-7-2-1-3-8-16/h1-13,15H,14H2,(H,24,25,26).
What are the key properties of 3-phenylmethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
3-phenylmethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 387.46 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 26203066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).