N-(2-carbamoylphenyl)-2-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide

C18H14FN3O3S — CID 42639780

IUPACN-(2-carbamoylphenyl)-2-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3ccccc3C(N)=O)cs2)cc1F
InChIInChI=1S/C18H14FN3O3S/c1-25-15-7-6-10(8-12(15)19)18-22-14(9-26-18)17(24)21-13-5-3-2-4-11(13)16(20)23/h2-9H,1H3,(H2,20,23)(H,21,24)
InChIKeyWZUFYWZKBJKBPG-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.31
Rot. Bonds5

About N-(2-carbamoylphenyl)-2-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide

N-(2-carbamoylphenyl)-2-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 42639780) has the molecular formula C18H14FN3O3S and a molecular weight of 371.39 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-2-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-2-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID42639780
Molecular FormulaC18H14FN3O3S
Molecular Weight371.39 g/mol
Exact Mass371.07
IUPAC NameN-(2-carbamoylphenyl)-2-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3ccccc3C(N)=O)cs2)cc1F
InChIInChI=1S/C18H14FN3O3S/c1-25-15-7-6-10(8-12(15)19)18-22-14(9-26-18)17(24)21-13-5-3-2-4-11(13)16(20)23/h2-9H,1H3,(H2,20,23)(H,21,24)
InChIKeyWZUFYWZKBJKBPG-UHFFFAOYSA-N
XLogP3.31
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-2-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-2-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 42639780) is N-(2-carbamoylphenyl)-2-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-2-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-2-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)Nc3ccccc3C(N)=O)cs2)cc1F.
What is the InChIKey of N-(2-carbamoylphenyl)-2-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is WZUFYWZKBJKBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3S/c1-25-15-7-6-10(8-12(15)19)18-22-14(9-26-18)17(24)21-13-5-3-2-4-11(13)16(20)23/h2-9H,1H3,(H2,20,23)(H,21,24).
What are the key properties of N-(2-carbamoylphenyl)-2-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
N-(2-carbamoylphenyl)-2-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-2-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42639780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).