5-(6-chloro-2-fluoro-3-pyridinyl)-2-methyl-1,3-thiazole

C9H6ClFN2S — CID 167504159

IUPAC5-(6-chloro-2-fluoro-3-pyridinyl)-2-methyl-1,3-thiazole
SMILESCc1ncc(-c2ccc(Cl)nc2F)s1
InChIInChI=1S/C9H6ClFN2S/c1-5-12-4-7(14-5)6-2-3-8(10)13-9(6)11/h2-4H,1H3
InChIKeyNFMCPLIPMXOBOG-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.31
Rot. Bonds1

About 5-(6-chloro-2-fluoro-3-pyridinyl)-2-methyl-1,3-thiazole

5-(6-chloro-2-fluoro-3-pyridinyl)-2-methyl-1,3-thiazole (PubChem CID 167504159) has the molecular formula C9H6ClFN2S and a molecular weight of 228.68 g/mol. Its IUPAC name is 5-(6-chloro-2-fluoro-3-pyridinyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(6-chloro-2-fluoro-3-pyridinyl)-2-methyl-1,3-thiazole
PubChem CID167504159
Molecular FormulaC9H6ClFN2S
Molecular Weight228.68 g/mol
Exact Mass227.99
IUPAC Name5-(6-chloro-2-fluoro-3-pyridinyl)-2-methyl-1,3-thiazole
SMILESCc1ncc(-c2ccc(Cl)nc2F)s1
InChIInChI=1S/C9H6ClFN2S/c1-5-12-4-7(14-5)6-2-3-8(10)13-9(6)11/h2-4H,1H3
InChIKeyNFMCPLIPMXOBOG-UHFFFAOYSA-N
XLogP3.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]-1,3-thiazole
CID 134530178
6-chloro-3-(5-chloro-2-fluorophenyl)-2-fluoropyridine
CID 173035623
ethane;2-methyl-5-(4-methylphenyl)-1,3-thiazole
CID 143737006
6-chloro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
CID 107266335
6-chloro-2-fluoro-3-(4-propyl-2-pyridinyl)pyridine
CID 141368311
5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole
CID 67394717
5-[chloro(difluoro)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
CID 165392196
3-(2-butylphenyl)-6-chloro-2-fluoropyridine
CID 173372518
4-[[2-chloro-5-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]amino]cyclohexan-1-ol
CID 167425719
2-methyl-5-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole
CID 163230344
2-methyl-5-(4-methylsulfinylphenyl)-1,3-thiazole
CID 19995246
6-chloro-2-fluoro-3-(fluoromethyl)pyridine
CID 171372934

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-2-fluoro-3-pyridinyl)-2-methyl-1,3-thiazole?
The IUPAC name of 5-(6-chloro-2-fluoro-3-pyridinyl)-2-methyl-1,3-thiazole (CID 167504159) is 5-(6-chloro-2-fluoro-3-pyridinyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-(6-chloro-2-fluoro-3-pyridinyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 5-(6-chloro-2-fluoro-3-pyridinyl)-2-methyl-1,3-thiazole is Cc1ncc(-c2ccc(Cl)nc2F)s1.
What is the InChIKey of 5-(6-chloro-2-fluoro-3-pyridinyl)-2-methyl-1,3-thiazole?
The InChIKey is NFMCPLIPMXOBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2S/c1-5-12-4-7(14-5)6-2-3-8(10)13-9(6)11/h2-4H,1H3.
What are the key properties of 5-(6-chloro-2-fluoro-3-pyridinyl)-2-methyl-1,3-thiazole?
5-(6-chloro-2-fluoro-3-pyridinyl)-2-methyl-1,3-thiazole has a molecular weight of 228.68 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-2-fluoro-3-pyridinyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 167504159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).