3-phenyl-2-propoxy-5-(1,3-thiazol-2-yl)benzamide

C19H18N2O2S — CID 150775399

IUPAC3-phenyl-2-propoxy-5-(1,3-thiazol-2-yl)benzamide
SMILESCCCOc1c(C(N)=O)cc(-c2nccs2)cc1-c1ccccc1
InChIInChI=1S/C19H18N2O2S/c1-2-9-23-17-15(13-6-4-3-5-7-13)11-14(12-16(17)18(20)22)19-21-8-10-24-19/h3-8,10-12H,2,9H2,1H3,(H2,20,22)
InChIKeyKATLVYLMGRNCON-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.36
Rot. Bonds6

About 3-phenyl-2-propoxy-5-(1,3-thiazol-2-yl)benzamide

3-phenyl-2-propoxy-5-(1,3-thiazol-2-yl)benzamide (PubChem CID 150775399) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 3-phenyl-2-propoxy-5-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-phenyl-2-propoxy-5-(1,3-thiazol-2-yl)benzamide
PubChem CID150775399
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name3-phenyl-2-propoxy-5-(1,3-thiazol-2-yl)benzamide
SMILESCCCOc1c(C(N)=O)cc(-c2nccs2)cc1-c1ccccc1
InChIInChI=1S/C19H18N2O2S/c1-2-9-23-17-15(13-6-4-3-5-7-13)11-14(12-16(17)18(20)22)19-21-8-10-24-19/h3-8,10-12H,2,9H2,1H3,(H2,20,22)
InChIKeyKATLVYLMGRNCON-UHFFFAOYSA-N
XLogP4.36
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-propoxy-5-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-phenyl-2-propoxy-5-(1,3-thiazol-2-yl)benzamide (CID 150775399) is 3-phenyl-2-propoxy-5-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-phenyl-2-propoxy-5-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-phenyl-2-propoxy-5-(1,3-thiazol-2-yl)benzamide is CCCOc1c(C(N)=O)cc(-c2nccs2)cc1-c1ccccc1.
What is the InChIKey of 3-phenyl-2-propoxy-5-(1,3-thiazol-2-yl)benzamide?
The InChIKey is KATLVYLMGRNCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-2-9-23-17-15(13-6-4-3-5-7-13)11-14(12-16(17)18(20)22)19-21-8-10-24-19/h3-8,10-12H,2,9H2,1H3,(H2,20,22).
What are the key properties of 3-phenyl-2-propoxy-5-(1,3-thiazol-2-yl)benzamide?
3-phenyl-2-propoxy-5-(1,3-thiazol-2-yl)benzamide has a molecular weight of 338.43 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-propoxy-5-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 150775399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).