4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfonyl-1,3-thiazole

C12H11FN2O2S2 — CID 158493392

IUPAC4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfonyl-1,3-thiazole
SMILESCS(=O)(=O)c1sc(-c2cncc(F)c2)nc1C1CC1
InChIInChI=1S/C12H11FN2O2S2/c1-19(16,17)12-10(7-2-3-7)15-11(18-12)8-4-9(13)6-14-5-8/h4-7H,2-3H2,1H3
InChIKeyNPQMCPYYCCMNJD-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.63
Rot. Bonds3

About 4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfonyl-1,3-thiazole

4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfonyl-1,3-thiazole (PubChem CID 158493392) has the molecular formula C12H11FN2O2S2 and a molecular weight of 298.36 g/mol. Its IUPAC name is 4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfonyl-1,3-thiazole.

Molecular Properties

Compound Name4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfonyl-1,3-thiazole
PubChem CID158493392
Molecular FormulaC12H11FN2O2S2
Molecular Weight298.36 g/mol
Exact Mass298.02
IUPAC Name4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfonyl-1,3-thiazole
SMILESCS(=O)(=O)c1sc(-c2cncc(F)c2)nc1C1CC1
InChIInChI=1S/C12H11FN2O2S2/c1-19(16,17)12-10(7-2-3-7)15-11(18-12)8-4-9(13)6-14-5-8/h4-7H,2-3H2,1H3
InChIKeyNPQMCPYYCCMNJD-UHFFFAOYSA-N
XLogP2.63
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfonyl-1,3-thiazole?
The IUPAC name of 4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfonyl-1,3-thiazole (CID 158493392) is 4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfonyl-1,3-thiazole.
What is the SMILES notation for 4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfonyl-1,3-thiazole?
The canonical SMILES for 4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfonyl-1,3-thiazole is CS(=O)(=O)c1sc(-c2cncc(F)c2)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfonyl-1,3-thiazole?
The InChIKey is NPQMCPYYCCMNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S2/c1-19(16,17)12-10(7-2-3-7)15-11(18-12)8-4-9(13)6-14-5-8/h4-7H,2-3H2,1H3.
What are the key properties of 4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfonyl-1,3-thiazole?
4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfonyl-1,3-thiazole has a molecular weight of 298.36 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfonyl-1,3-thiazole is sourced from PubChem (CID 158493392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).