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

C11H10ClFN2S — CID 123551266

IUPAC4-chloro-2-(5-fluoro-3-pyridinyl)-5-propan-2-yl-1,3-thiazole
SMILESCC(C)c1sc(-c2cncc(F)c2)nc1Cl
InChIInChI=1S/C11H10ClFN2S/c1-6(2)9-10(12)15-11(16-9)7-3-8(13)5-14-4-7/h3-6H,1-2H3
InChIKeyCMAJGTCREHDKHR-UHFFFAOYSA-N
MW256.73 g/mol
LogP4.12
Rot. Bonds2

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

4-chloro-2-(5-fluoro-3-pyridinyl)-5-propan-2-yl-1,3-thiazole (PubChem CID 123551266) has the molecular formula C11H10ClFN2S and a molecular weight of 256.73 g/mol. Its IUPAC name is 4-chloro-2-(5-fluoro-3-pyridinyl)-5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(5-fluoro-3-pyridinyl)-5-propan-2-yl-1,3-thiazole
PubChem CID123551266
Molecular FormulaC11H10ClFN2S
Molecular Weight256.73 g/mol
Exact Mass256.02
IUPAC Name4-chloro-2-(5-fluoro-3-pyridinyl)-5-propan-2-yl-1,3-thiazole
SMILESCC(C)c1sc(-c2cncc(F)c2)nc1Cl
InChIInChI=1S/C11H10ClFN2S/c1-6(2)9-10(12)15-11(16-9)7-3-8(13)5-14-4-7/h3-6H,1-2H3
InChIKeyCMAJGTCREHDKHR-UHFFFAOYSA-N
XLogP4.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 54.12
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-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-chloro-2-(5-fluoro-3-pyridinyl)-5-propan-2-yl-1,3-thiazole (CID 123551266) is 4-chloro-2-(5-fluoro-3-pyridinyl)-5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(5-fluoro-3-pyridinyl)-5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(5-fluoro-3-pyridinyl)-5-propan-2-yl-1,3-thiazole is CC(C)c1sc(-c2cncc(F)c2)nc1Cl.
What is the InChIKey of 4-chloro-2-(5-fluoro-3-pyridinyl)-5-propan-2-yl-1,3-thiazole?
The InChIKey is CMAJGTCREHDKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2S/c1-6(2)9-10(12)15-11(16-9)7-3-8(13)5-14-4-7/h3-6H,1-2H3.
What are the key properties of 4-chloro-2-(5-fluoro-3-pyridinyl)-5-propan-2-yl-1,3-thiazole?
4-chloro-2-(5-fluoro-3-pyridinyl)-5-propan-2-yl-1,3-thiazole has a molecular weight of 256.73 g/mol, XLogP of 4.12, 2 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-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 123551266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).