N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylmethoxybenzamide

C17H16N2O2S — CID 2344197

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylmethoxybenzamide
SMILESO=C(NC1=NCCS1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C17H16N2O2S/c20-16(19-17-18-10-11-22-17)14-8-4-5-9-15(14)21-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,18,19,20)
InChIKeyXHKRODDMFPVPKF-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.10
Rot. Bonds4

About N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylmethoxybenzamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylmethoxybenzamide (PubChem CID 2344197) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylmethoxybenzamide
PubChem CID2344197
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylmethoxybenzamide
SMILESO=C(NC1=NCCS1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C17H16N2O2S/c20-16(19-17-18-10-11-22-17)14-8-4-5-9-15(14)21-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,18,19,20)
InChIKeyXHKRODDMFPVPKF-UHFFFAOYSA-N
XLogP3.10
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylmethoxybenzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylmethoxybenzamide (CID 2344197) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylmethoxybenzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylmethoxybenzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylmethoxybenzamide is O=C(NC1=NCCS1)c1ccccc1OCc1ccccc1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylmethoxybenzamide?
The InChIKey is XHKRODDMFPVPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c20-16(19-17-18-10-11-22-17)14-8-4-5-9-15(14)21-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,18,19,20).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylmethoxybenzamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylmethoxybenzamide has a molecular weight of 312.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylmethoxybenzamide is sourced from PubChem (CID 2344197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).