4-chloro-2-(5-fluoro-3-pyridinyl)-5-(3-methylbutan-2-yl)-1,3-thiazole

C13H14ClFN2S — CID 123381011

IUPAC4-chloro-2-(5-fluoro-3-pyridinyl)-5-(3-methylbutan-2-yl)-1,3-thiazole
SMILESCC(C)C(C)c1sc(-c2cncc(F)c2)nc1Cl
InChIInChI=1S/C13H14ClFN2S/c1-7(2)8(3)11-12(14)17-13(18-11)9-4-10(15)6-16-5-9/h4-8H,1-3H3
InChIKeyVIBMQGGGCHTTPX-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.76
Rot. Bonds3

About 4-chloro-2-(5-fluoro-3-pyridinyl)-5-(3-methylbutan-2-yl)-1,3-thiazole

4-chloro-2-(5-fluoro-3-pyridinyl)-5-(3-methylbutan-2-yl)-1,3-thiazole (PubChem CID 123381011) has the molecular formula C13H14ClFN2S and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-chloro-2-(5-fluoro-3-pyridinyl)-5-(3-methylbutan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(5-fluoro-3-pyridinyl)-5-(3-methylbutan-2-yl)-1,3-thiazole
PubChem CID123381011
Molecular FormulaC13H14ClFN2S
Molecular Weight284.79 g/mol
Exact Mass284.06
IUPAC Name4-chloro-2-(5-fluoro-3-pyridinyl)-5-(3-methylbutan-2-yl)-1,3-thiazole
SMILESCC(C)C(C)c1sc(-c2cncc(F)c2)nc1Cl
InChIInChI=1S/C13H14ClFN2S/c1-7(2)8(3)11-12(14)17-13(18-11)9-4-10(15)6-16-5-9/h4-8H,1-3H3
InChIKeyVIBMQGGGCHTTPX-UHFFFAOYSA-N
XLogP4.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-fluoro-3-pyridinyl)-5-(3-methylbutan-2-yl)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(5-fluoro-3-pyridinyl)-5-(3-methylbutan-2-yl)-1,3-thiazole (CID 123381011) is 4-chloro-2-(5-fluoro-3-pyridinyl)-5-(3-methylbutan-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(5-fluoro-3-pyridinyl)-5-(3-methylbutan-2-yl)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(5-fluoro-3-pyridinyl)-5-(3-methylbutan-2-yl)-1,3-thiazole is CC(C)C(C)c1sc(-c2cncc(F)c2)nc1Cl.
What is the InChIKey of 4-chloro-2-(5-fluoro-3-pyridinyl)-5-(3-methylbutan-2-yl)-1,3-thiazole?
The InChIKey is VIBMQGGGCHTTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2S/c1-7(2)8(3)11-12(14)17-13(18-11)9-4-10(15)6-16-5-9/h4-8H,1-3H3.
What are the key properties of 4-chloro-2-(5-fluoro-3-pyridinyl)-5-(3-methylbutan-2-yl)-1,3-thiazole?
4-chloro-2-(5-fluoro-3-pyridinyl)-5-(3-methylbutan-2-yl)-1,3-thiazole has a molecular weight of 284.79 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-fluoro-3-pyridinyl)-5-(3-methylbutan-2-yl)-1,3-thiazole is sourced from PubChem (CID 123381011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).