2-fluoro-6-(1,3-thiazol-2-ylcarbamoylamino)benzoic acid

C11H8FN3O3S — CID 61187315

IUPAC2-fluoro-6-(1,3-thiazol-2-ylcarbamoylamino)benzoic acid
SMILESO=C(Nc1nccs1)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C11H8FN3O3S/c12-6-2-1-3-7(8(6)9(16)17)14-10(18)15-11-13-4-5-19-11/h1-5H,(H,16,17)(H2,13,14,15,18)
InChIKeyWDQJPRCGXJZRAA-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.62
Rot. Bonds3

About 2-fluoro-6-(1,3-thiazol-2-ylcarbamoylamino)benzoic acid

2-fluoro-6-(1,3-thiazol-2-ylcarbamoylamino)benzoic acid (PubChem CID 61187315) has the molecular formula C11H8FN3O3S and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-fluoro-6-(1,3-thiazol-2-ylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-(1,3-thiazol-2-ylcarbamoylamino)benzoic acid
PubChem CID61187315
Molecular FormulaC11H8FN3O3S
Molecular Weight281.27 g/mol
Exact Mass281.03
IUPAC Name2-fluoro-6-(1,3-thiazol-2-ylcarbamoylamino)benzoic acid
SMILESO=C(Nc1nccs1)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C11H8FN3O3S/c12-6-2-1-3-7(8(6)9(16)17)14-10(18)15-11-13-4-5-19-11/h1-5H,(H,16,17)(H2,13,14,15,18)
InChIKeyWDQJPRCGXJZRAA-UHFFFAOYSA-N
XLogP2.62
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-thiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447865
2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-6-fluorobenzoic acid
CID 61465707
2-fluoro-6-(1,2,4-triazin-3-ylcarbamoylamino)benzoic acid
CID 114388573
1-[2-(2,4-difluorophenyl)sulfanylphenyl]-3-(1,3-thiazol-2-yl)urea
CID 59732885
1-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-yl)urea
CID 59732727
2,3-difluoro-N-(1,3-thiazol-2-yl)benzamide
CID 62650804
2-fluoro-6-[1-(1,3-thiazol-2-yl)propylamino]benzoic acid
CID 79511867
2-[(3-bromothiophene-2-carbonyl)amino]-6-fluorobenzoic acid
CID 55240484
1-(7-hydroxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)urea
CID 5330590
1-[5-fluoro-2-(thiophene-2-carbonyl)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59733091
1-[2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)-3-pyridinyl]-3-(1,3-thiazol-2-yl)urea
CID 2401380
2-fluoro-6-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid
CID 106421055

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(1,3-thiazol-2-ylcarbamoylamino)benzoic acid?
The IUPAC name of 2-fluoro-6-(1,3-thiazol-2-ylcarbamoylamino)benzoic acid (CID 61187315) is 2-fluoro-6-(1,3-thiazol-2-ylcarbamoylamino)benzoic acid.
What is the SMILES notation for 2-fluoro-6-(1,3-thiazol-2-ylcarbamoylamino)benzoic acid?
The canonical SMILES for 2-fluoro-6-(1,3-thiazol-2-ylcarbamoylamino)benzoic acid is O=C(Nc1nccs1)Nc1cccc(F)c1C(=O)O.
What is the InChIKey of 2-fluoro-6-(1,3-thiazol-2-ylcarbamoylamino)benzoic acid?
The InChIKey is WDQJPRCGXJZRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O3S/c12-6-2-1-3-7(8(6)9(16)17)14-10(18)15-11-13-4-5-19-11/h1-5H,(H,16,17)(H2,13,14,15,18).
What are the key properties of 2-fluoro-6-(1,3-thiazol-2-ylcarbamoylamino)benzoic acid?
2-fluoro-6-(1,3-thiazol-2-ylcarbamoylamino)benzoic acid has a molecular weight of 281.27 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(1,3-thiazol-2-ylcarbamoylamino)benzoic acid is sourced from PubChem (CID 61187315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).