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

C13H13FN2OS2 — CID 2591198

IUPACN-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESCCNC(=O)CSc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C13H13FN2OS2/c1-2-15-12(17)8-19-13-16-11(7-18-13)9-3-5-10(14)6-4-9/h3-7H,2,8H2,1H3,(H,15,17)
InChIKeyBCDMKALJBZKBFC-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.18
Rot. Bonds5

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

N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide (PubChem CID 2591198) has the molecular formula C13H13FN2OS2 and a molecular weight of 296.39 g/mol. Its IUPAC name is N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
PubChem CID2591198
Molecular FormulaC13H13FN2OS2
Molecular Weight296.39 g/mol
Exact Mass296.05
IUPAC NameN-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESCCNC(=O)CSc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C13H13FN2OS2/c1-2-15-12(17)8-19-13-16-11(7-18-13)9-3-5-10(14)6-4-9/h3-7H,2,8H2,1H3,(H,15,17)
InChIKeyBCDMKALJBZKBFC-UHFFFAOYSA-N
XLogP3.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide (CID 2591198) is N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide is CCNC(=O)CSc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The InChIKey is BCDMKALJBZKBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS2/c1-2-15-12(17)8-19-13-16-11(7-18-13)9-3-5-10(14)6-4-9/h3-7H,2,8H2,1H3,(H,15,17).
What are the key properties of N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide has a molecular weight of 296.39 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2591198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).