N-(4-carbamoyl-2-fluorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide

C17H11F2N3O2S — CID 100631360

IUPACN-(4-carbamoyl-2-fluorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cnc(-c3ccccc3F)s2)c(F)c1
InChIInChI=1S/C17H11F2N3O2S/c18-11-4-2-1-3-10(11)17-21-8-14(25-17)16(24)22-13-6-5-9(15(20)23)7-12(13)19/h1-8H,(H2,20,23)(H,22,24)
InChIKeyTWRGWCKAEBKJNY-UHFFFAOYSA-N
MW359.36 g/mol
LogP3.44
Rot. Bonds4

About N-(4-carbamoyl-2-fluorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide

N-(4-carbamoyl-2-fluorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide (PubChem CID 100631360) has the molecular formula C17H11F2N3O2S and a molecular weight of 359.36 g/mol. Its IUPAC name is N-(4-carbamoyl-2-fluorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-2-fluorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
PubChem CID100631360
Molecular FormulaC17H11F2N3O2S
Molecular Weight359.36 g/mol
Exact Mass359.05
IUPAC NameN-(4-carbamoyl-2-fluorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cnc(-c3ccccc3F)s2)c(F)c1
InChIInChI=1S/C17H11F2N3O2S/c18-11-4-2-1-3-10(11)17-21-8-14(25-17)16(24)22-13-6-5-9(15(20)23)7-12(13)19/h1-8H,(H2,20,23)(H,22,24)
InChIKeyTWRGWCKAEBKJNY-UHFFFAOYSA-N
XLogP3.44
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-2-fluorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-carbamoyl-2-fluorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide (CID 100631360) is N-(4-carbamoyl-2-fluorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-2-fluorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-carbamoyl-2-fluorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide is NC(=O)c1ccc(NC(=O)c2cnc(-c3ccccc3F)s2)c(F)c1.
What is the InChIKey of N-(4-carbamoyl-2-fluorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is TWRGWCKAEBKJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O2S/c18-11-4-2-1-3-10(11)17-21-8-14(25-17)16(24)22-13-6-5-9(15(20)23)7-12(13)19/h1-8H,(H2,20,23)(H,22,24).
What are the key properties of N-(4-carbamoyl-2-fluorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide?
N-(4-carbamoyl-2-fluorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 359.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-2-fluorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 100631360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).