N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenyl-1,3-thiazole-4-carboxamide

C20H19FN2O2S — CID 71810635

IUPACN-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCOC(C)(CNC(=O)c1csc(-c2ccccc2)n1)c1ccccc1F
InChIInChI=1S/C20H19FN2O2S/c1-20(25-2,15-10-6-7-11-16(15)21)13-22-18(24)17-12-26-19(23-17)14-8-4-3-5-9-14/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyXSGFNSVRVCAMSV-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.24
Rot. Bonds6

About N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenyl-1,3-thiazole-4-carboxamide

N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 71810635) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID71810635
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCOC(C)(CNC(=O)c1csc(-c2ccccc2)n1)c1ccccc1F
InChIInChI=1S/C20H19FN2O2S/c1-20(25-2,15-10-6-7-11-16(15)21)13-22-18(24)17-12-26-19(23-17)14-8-4-3-5-9-14/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyXSGFNSVRVCAMSV-UHFFFAOYSA-N
XLogP4.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 71810635) is N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenyl-1,3-thiazole-4-carboxamide is COC(C)(CNC(=O)c1csc(-c2ccccc2)n1)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is XSGFNSVRVCAMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c1-20(25-2,15-10-6-7-11-16(15)21)13-22-18(24)17-12-26-19(23-17)14-8-4-3-5-9-14/h3-12H,13H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenyl-1,3-thiazole-4-carboxamide?
N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71810635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).