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

C11H9FN2O2S — CID 42645473

IUPACN-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-2-carboxamide
SMILESCOc1cc(NC(=O)c2nccs2)ccc1F
InChIInChI=1S/C11H9FN2O2S/c1-16-9-6-7(2-3-8(9)12)14-10(15)11-13-4-5-17-11/h2-6H,1H3,(H,14,15)
InChIKeyYRMFMUCOKVRQOD-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.54
Rot. Bonds3

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

N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-2-carboxamide (PubChem CID 42645473) has the molecular formula C11H9FN2O2S and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-2-carboxamide
PubChem CID42645473
Molecular FormulaC11H9FN2O2S
Molecular Weight252.27 g/mol
Exact Mass252.04
IUPAC NameN-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-2-carboxamide
SMILESCOc1cc(NC(=O)c2nccs2)ccc1F
InChIInChI=1S/C11H9FN2O2S/c1-16-9-6-7(2-3-8(9)12)14-10(15)11-13-4-5-17-11/h2-6H,1H3,(H,14,15)
InChIKeyYRMFMUCOKVRQOD-UHFFFAOYSA-N
XLogP2.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 99827913
2-amino-N-(4-fluoro-3-methoxyphenyl)pyridine-4-carboxamide
CID 114840722
N-(4-fluoro-3-methoxyphenyl)-3-hydroxypyridine-4-carboxamide
CID 114840031
2-(2-aminoethyl)-N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 114839656
N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzamide
CID 114840048
6-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 114840542
N-(4-fluoro-3-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 114840716
N-(4-acetylphenyl)-1,3-thiazole-2-carboxamide
CID 110696027
N-(4-fluoro-3-methoxyphenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 114840609
N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide
CID 114840033
3-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide
CID 114840612
2-amino-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide
CID 114839711

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-2-carboxamide (CID 42645473) is N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-2-carboxamide is COc1cc(NC(=O)c2nccs2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-2-carboxamide?
The InChIKey is YRMFMUCOKVRQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2S/c1-16-9-6-7(2-3-8(9)12)14-10(15)11-13-4-5-17-11/h2-6H,1H3,(H,14,15).
What are the key properties of N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-2-carboxamide?
N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-2-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 42645473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).