methyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate

C10H6ClFN2O2S — CID 59864739

IUPACmethyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Cl)nc1-c1ncccc1F
InChIInChI=1S/C10H6ClFN2O2S/c1-16-9(15)8-7(14-10(11)17-8)6-5(12)3-2-4-13-6/h2-4H,1H3
InChIKeyFHJFVKLRHTTXHV-UHFFFAOYSA-N
MW272.69 g/mol
LogP2.78
Rot. Bonds2

About methyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate

methyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate (PubChem CID 59864739) has the molecular formula C10H6ClFN2O2S and a molecular weight of 272.69 g/mol. Its IUPAC name is methyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate
PubChem CID59864739
Molecular FormulaC10H6ClFN2O2S
Molecular Weight272.69 g/mol
Exact Mass271.98
IUPAC Namemethyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Cl)nc1-c1ncccc1F
InChIInChI=1S/C10H6ClFN2O2S/c1-16-9(15)8-7(14-10(11)17-8)6-5(12)3-2-4-13-6/h2-4H,1H3
InChIKeyFHJFVKLRHTTXHV-UHFFFAOYSA-N
XLogP2.78
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate (CID 59864739) is methyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(Cl)nc1-c1ncccc1F.
What is the InChIKey of methyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate?
The InChIKey is FHJFVKLRHTTXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O2S/c1-16-9(15)8-7(14-10(11)17-8)6-5(12)3-2-4-13-6/h2-4H,1H3.
What are the key properties of methyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate?
methyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate has a molecular weight of 272.69 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 59864739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).