4-fluoro-2-methyl-N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]benzenesulfinamide

C15H17FN2O2S2 — CID 143227282

IUPAC4-fluoro-2-methyl-N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]benzenesulfinamide
SMILESCc1cc(F)ccc1S(=O)Nc1nc(C2CCOCC2)cs1
InChIInChI=1S/C15H17FN2O2S2/c1-10-8-12(16)2-3-14(10)22(19)18-15-17-13(9-21-15)11-4-6-20-7-5-11/h2-3,8-9,11H,4-7H2,1H3,(H,17,18)
InChIKeyAWKYSDKIRUQQCP-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.62
Rot. Bonds4

About 4-fluoro-2-methyl-N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]benzenesulfinamide

4-fluoro-2-methyl-N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]benzenesulfinamide (PubChem CID 143227282) has the molecular formula C15H17FN2O2S2 and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]benzenesulfinamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]benzenesulfinamide
PubChem CID143227282
Molecular FormulaC15H17FN2O2S2
Molecular Weight340.45 g/mol
Exact Mass340.07
IUPAC Name4-fluoro-2-methyl-N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]benzenesulfinamide
SMILESCc1cc(F)ccc1S(=O)Nc1nc(C2CCOCC2)cs1
InChIInChI=1S/C15H17FN2O2S2/c1-10-8-12(16)2-3-14(10)22(19)18-15-17-13(9-21-15)11-4-6-20-7-5-11/h2-3,8-9,11H,4-7H2,1H3,(H,17,18)
InChIKeyAWKYSDKIRUQQCP-UHFFFAOYSA-N
XLogP3.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]benzenesulfinamide?
The IUPAC name of 4-fluoro-2-methyl-N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]benzenesulfinamide (CID 143227282) is 4-fluoro-2-methyl-N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]benzenesulfinamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]benzenesulfinamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]benzenesulfinamide is Cc1cc(F)ccc1S(=O)Nc1nc(C2CCOCC2)cs1.
What is the InChIKey of 4-fluoro-2-methyl-N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]benzenesulfinamide?
The InChIKey is AWKYSDKIRUQQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S2/c1-10-8-12(16)2-3-14(10)22(19)18-15-17-13(9-21-15)11-4-6-20-7-5-11/h2-3,8-9,11H,4-7H2,1H3,(H,17,18).
What are the key properties of 4-fluoro-2-methyl-N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]benzenesulfinamide?
4-fluoro-2-methyl-N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]benzenesulfinamide has a molecular weight of 340.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]benzenesulfinamide is sourced from PubChem (CID 143227282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).