2-(4-cyclopropylsulfanylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide

C14H13FN2OS2 — CID 143392302

IUPAC2-(4-cyclopropylsulfanylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1ccc(SC2CC2)cc1)Nc1ncc(F)s1
InChIInChI=1S/C14H13FN2OS2/c15-12-8-16-14(20-12)17-13(18)7-9-1-3-10(4-2-9)19-11-5-6-11/h1-4,8,11H,5-7H2,(H,16,17,18)
InChIKeyDKKRYVDNZPHZGA-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.72
Rot. Bonds5

About 2-(4-cyclopropylsulfanylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide

2-(4-cyclopropylsulfanylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide (PubChem CID 143392302) has the molecular formula C14H13FN2OS2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-(4-cyclopropylsulfanylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyclopropylsulfanylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide
PubChem CID143392302
Molecular FormulaC14H13FN2OS2
Molecular Weight308.40 g/mol
Exact Mass308.05
IUPAC Name2-(4-cyclopropylsulfanylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1ccc(SC2CC2)cc1)Nc1ncc(F)s1
InChIInChI=1S/C14H13FN2OS2/c15-12-8-16-14(20-12)17-13(18)7-9-1-3-10(4-2-9)19-11-5-6-11/h1-4,8,11H,5-7H2,(H,16,17,18)
InChIKeyDKKRYVDNZPHZGA-UHFFFAOYSA-N
XLogP3.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylsulfanylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-cyclopropylsulfanylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide (CID 143392302) is 2-(4-cyclopropylsulfanylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-cyclopropylsulfanylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-cyclopropylsulfanylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide is O=C(Cc1ccc(SC2CC2)cc1)Nc1ncc(F)s1.
What is the InChIKey of 2-(4-cyclopropylsulfanylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide?
The InChIKey is DKKRYVDNZPHZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2OS2/c15-12-8-16-14(20-12)17-13(18)7-9-1-3-10(4-2-9)19-11-5-6-11/h1-4,8,11H,5-7H2,(H,16,17,18).
What are the key properties of 2-(4-cyclopropylsulfanylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide?
2-(4-cyclopropylsulfanylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide has a molecular weight of 308.40 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylsulfanylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 143392302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).