5-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxylic acid

C10H7FN2O2S — CID 130298552

IUPAC5-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1nc(C(=O)O)c(-c2ccc(F)cn2)s1
InChIInChI=1S/C10H7FN2O2S/c1-5-13-8(10(14)15)9(16-5)7-3-2-6(11)4-12-7/h2-4H,1H3,(H,14,15)
InChIKeyQCMVXANSVSIPPR-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.35
Rot. Bonds2

About 5-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxylic acid

5-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 130298552) has the molecular formula C10H7FN2O2S and a molecular weight of 238.24 g/mol. Its IUPAC name is 5-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID130298552
Molecular FormulaC10H7FN2O2S
Molecular Weight238.24 g/mol
Exact Mass238.02
IUPAC Name5-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1nc(C(=O)O)c(-c2ccc(F)cn2)s1
InChIInChI=1S/C10H7FN2O2S/c1-5-13-8(10(14)15)9(16-5)7-3-2-6(11)4-12-7/h2-4H,1H3,(H,14,15)
InChIKeyQCMVXANSVSIPPR-UHFFFAOYSA-N
XLogP2.35
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Phenyl-2-(4-pyridyl)thiazole-5-carboxylic acid
CID 73012807
6-(2-(7-Phenylheptanoyl)thiazol-5-yl)-picolinic Acid
CID 24950523
2-(Pyridin-2-yl)-1,3-thiazole-4-carboxylic acid
CID 15623090
6-(2-Methyl-1,3-thiazol-4-yl)pyridine-2-carboxylic acid
CID 44307561
5-(Thiazol-2-yl)pyridine-2-carboxylic acid
CID 57827797
4-Methyl-2-((pyridin-2-yl)methyl)-1,3-thiazole-5-carboxylic acid
CID 39869851
2-(3-Fluoropyridin-2-yl)-1,3-thiazole-4-carboxylic acid
CID 71695287
5-(Pyridin-2-yl)-1,2,3-thiadiazole-4-carboxylic acid
CID 131298133
3-(1,3-Thiazol-2-yl)pyridine-2-carboxylic acid
CID 91222172
6-({Methyl[2-(4-methyl-1,3-thiazol-5-YL)ethyl]amino}methyl)pyridine-2-carboxylic acid
CID 122569179
Methyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate
CID 59864739
3-[2-(5-fluoropyridin-3-yl)-4-methyl-1,3-thiazol-5-yl]-1-methyl-1H-pyrazole-5-carboxylic acid
CID 66633628

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxylic acid (CID 130298552) is 5-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxylic acid is Cc1nc(C(=O)O)c(-c2ccc(F)cn2)s1.
What is the InChIKey of 5-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is QCMVXANSVSIPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2S/c1-5-13-8(10(14)15)9(16-5)7-3-2-6(11)4-12-7/h2-4H,1H3,(H,14,15).
What are the key properties of 5-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxylic acid?
5-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 130298552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).