3-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

C17H14N2O2S — CID 2598506

IUPAC3-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C17H14N2O2S/c1-21-14-9-5-8-13(10-14)16(20)19-17-18-15(11-22-17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19,20)
InChIKeyHSGPMNKPISRZSA-UHFFFAOYSA-N
MW310.38 g/mol
LogP4.07
Rot. Bonds4

About 3-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

3-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 2598506) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID2598506
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name3-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C17H14N2O2S/c1-21-14-9-5-8-13(10-14)16(20)19-17-18-15(11-22-17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19,20)
InChIKeyHSGPMNKPISRZSA-UHFFFAOYSA-N
XLogP4.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

T16AInh-A01
CID 135460621
3-methoxy-N-(4-methylthiazol-2-yl)benzamide
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N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide
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N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
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2-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 747501
4-(3-Methoxyphenyl)-1,3-thiazol-2-amine
CID 734629
[4-Amino-2-(Phenylamino)-1,3-Thiazol-5-Yl](3-Methoxyphenyl)methanone
CID 44250180
2,6-Dimethoxy-N-(4-phenyl-thiazol-2-yl)-benzamide
CID 954627
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 2090691
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,4-dimethoxybenzamide
CID 737692

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 2598506) is 3-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is COc1cccc(C(=O)Nc2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of 3-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is HSGPMNKPISRZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-21-14-9-5-8-13(10-14)16(20)19-17-18-15(11-22-17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19,20).
What are the key properties of 3-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
3-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 310.38 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2598506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).