2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide

C16H17FN2O2S2 — CID 4876326

IUPAC2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CSc1nc(-c2ccc(F)cc2)cs1)NCC1CCCO1
InChIInChI=1S/C16H17FN2O2S2/c17-12-5-3-11(4-6-12)14-9-22-16(19-14)23-10-15(20)18-8-13-2-1-7-21-13/h3-6,9,13H,1-2,7-8,10H2,(H,18,20)
InChIKeyTVZDEBLFUIEJPK-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.34
Rot. Bonds6

About 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide

2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 4876326) has the molecular formula C16H17FN2O2S2 and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID4876326
Molecular FormulaC16H17FN2O2S2
Molecular Weight352.46 g/mol
Exact Mass352.07
IUPAC Name2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CSc1nc(-c2ccc(F)cc2)cs1)NCC1CCCO1
InChIInChI=1S/C16H17FN2O2S2/c17-12-5-3-11(4-6-12)14-9-22-16(19-14)23-10-15(20)18-8-13-2-1-7-21-13/h3-6,9,13H,1-2,7-8,10H2,(H,18,20)
InChIKeyTVZDEBLFUIEJPK-UHFFFAOYSA-N
XLogP3.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide (CID 4876326) is 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide is O=C(CSc1nc(-c2ccc(F)cc2)cs1)NCC1CCCO1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is TVZDEBLFUIEJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S2/c17-12-5-3-11(4-6-12)14-9-22-16(19-14)23-10-15(20)18-8-13-2-1-7-21-13/h3-6,9,13H,1-2,7-8,10H2,(H,18,20).
What are the key properties of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 352.46 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 4876326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).