5-(1-fluoro-2-methylpropyl)-4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole

C11H13FN2S2 — CID 71288528

IUPAC5-(1-fluoro-2-methylpropyl)-4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole
SMILESCc1nc(-c2nccs2)sc1C(F)C(C)C
InChIInChI=1S/C11H13FN2S2/c1-6(2)8(12)9-7(3)14-11(16-9)10-13-4-5-15-10/h4-6,8H,1-3H3
InChIKeyWECHHWFMTVDOST-UHFFFAOYSA-N
MW256.37 g/mol
LogP4.24
Rot. Bonds3

About 5-(1-fluoro-2-methylpropyl)-4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole

5-(1-fluoro-2-methylpropyl)-4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole (PubChem CID 71288528) has the molecular formula C11H13FN2S2 and a molecular weight of 256.37 g/mol. Its IUPAC name is 5-(1-fluoro-2-methylpropyl)-4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(1-fluoro-2-methylpropyl)-4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole
PubChem CID71288528
Molecular FormulaC11H13FN2S2
Molecular Weight256.37 g/mol
Exact Mass256.05
IUPAC Name5-(1-fluoro-2-methylpropyl)-4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole
SMILESCc1nc(-c2nccs2)sc1C(F)C(C)C
InChIInChI=1S/C11H13FN2S2/c1-6(2)8(12)9-7(3)14-11(16-9)10-13-4-5-15-10/h4-6,8H,1-3H3
InChIKeyWECHHWFMTVDOST-UHFFFAOYSA-N
XLogP4.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoro-2-methylpropyl)-4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole?
The IUPAC name of 5-(1-fluoro-2-methylpropyl)-4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole (CID 71288528) is 5-(1-fluoro-2-methylpropyl)-4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole.
What is the SMILES notation for 5-(1-fluoro-2-methylpropyl)-4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole?
The canonical SMILES for 5-(1-fluoro-2-methylpropyl)-4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole is Cc1nc(-c2nccs2)sc1C(F)C(C)C.
What is the InChIKey of 5-(1-fluoro-2-methylpropyl)-4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole?
The InChIKey is WECHHWFMTVDOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2S2/c1-6(2)8(12)9-7(3)14-11(16-9)10-13-4-5-15-10/h4-6,8H,1-3H3.
What are the key properties of 5-(1-fluoro-2-methylpropyl)-4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole?
5-(1-fluoro-2-methylpropyl)-4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole has a molecular weight of 256.37 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoro-2-methylpropyl)-4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole is sourced from PubChem (CID 71288528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).