[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl] 2,4-difluorobenzoate

C16H9ClF2N2O2S — CID 1474043

IUPAC[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl] 2,4-difluorobenzoate
SMILESCc1sc(-c2ccc(Cl)nc2)nc1OC(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H9ClF2N2O2S/c1-8-14(21-15(24-8)9-2-5-13(17)20-7-9)23-16(22)11-4-3-10(18)6-12(11)19/h2-7H,1H3
InChIKeyLZWUQOMXRRYAFQ-UHFFFAOYSA-N
MW366.78 g/mol
LogP4.66
Rot. Bonds3

About [2-(6-chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl] 2,4-difluorobenzoate

[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl] 2,4-difluorobenzoate (PubChem CID 1474043) has the molecular formula C16H9ClF2N2O2S and a molecular weight of 366.78 g/mol. Its IUPAC name is [2-(6-chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl] 2,4-difluorobenzoate.

Molecular Properties

Compound Name[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl] 2,4-difluorobenzoate
PubChem CID1474043
Molecular FormulaC16H9ClF2N2O2S
Molecular Weight366.78 g/mol
Exact Mass366.00
IUPAC Name[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl] 2,4-difluorobenzoate
SMILESCc1sc(-c2ccc(Cl)nc2)nc1OC(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H9ClF2N2O2S/c1-8-14(21-15(24-8)9-2-5-13(17)20-7-9)23-16(22)11-4-3-10(18)6-12(11)19/h2-7H,1H3
InChIKeyLZWUQOMXRRYAFQ-UHFFFAOYSA-N
XLogP4.66
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.78
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(6-chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl] 2,4-difluorobenzoate?
The IUPAC name of [2-(6-chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl] 2,4-difluorobenzoate (CID 1474043) is [2-(6-chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl] 2,4-difluorobenzoate.
What is the SMILES notation for [2-(6-chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl] 2,4-difluorobenzoate?
The canonical SMILES for [2-(6-chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl] 2,4-difluorobenzoate is Cc1sc(-c2ccc(Cl)nc2)nc1OC(=O)c1ccc(F)cc1F.
What is the InChIKey of [2-(6-chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl] 2,4-difluorobenzoate?
The InChIKey is LZWUQOMXRRYAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF2N2O2S/c1-8-14(21-15(24-8)9-2-5-13(17)20-7-9)23-16(22)11-4-3-10(18)6-12(11)19/h2-7H,1H3.
What are the key properties of [2-(6-chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl] 2,4-difluorobenzoate?
[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl] 2,4-difluorobenzoate has a molecular weight of 366.78 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl] 2,4-difluorobenzoate is sourced from PubChem (CID 1474043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).