2-[2-(9H-fluoren-9-ylsulfanyl)-4-methyl-1,3-thiazol-5-yl]acetamide

C19H16N2OS2 — CID 24589896

IUPAC2-[2-(9H-fluoren-9-ylsulfanyl)-4-methyl-1,3-thiazol-5-yl]acetamide
SMILESCc1nc(SC2c3ccccc3-c3ccccc32)sc1CC(N)=O
InChIInChI=1S/C19H16N2OS2/c1-11-16(10-17(20)22)23-19(21-11)24-18-14-8-4-2-6-12(14)13-7-3-5-9-15(13)18/h2-9,18H,10H2,1H3,(H2,20,22)
InChIKeyBMINFYZPCRRIFW-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.34
Rot. Bonds4

About 2-[2-(9H-fluoren-9-ylsulfanyl)-4-methyl-1,3-thiazol-5-yl]acetamide

2-[2-(9H-fluoren-9-ylsulfanyl)-4-methyl-1,3-thiazol-5-yl]acetamide (PubChem CID 24589896) has the molecular formula C19H16N2OS2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[2-(9H-fluoren-9-ylsulfanyl)-4-methyl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[2-(9H-fluoren-9-ylsulfanyl)-4-methyl-1,3-thiazol-5-yl]acetamide
PubChem CID24589896
Molecular FormulaC19H16N2OS2
Molecular Weight352.48 g/mol
Exact Mass352.07
IUPAC Name2-[2-(9H-fluoren-9-ylsulfanyl)-4-methyl-1,3-thiazol-5-yl]acetamide
SMILESCc1nc(SC2c3ccccc3-c3ccccc32)sc1CC(N)=O
InChIInChI=1S/C19H16N2OS2/c1-11-16(10-17(20)22)23-19(21-11)24-18-14-8-4-2-6-12(14)13-7-3-5-9-15(13)18/h2-9,18H,10H2,1H3,(H2,20,22)
InChIKeyBMINFYZPCRRIFW-UHFFFAOYSA-N
XLogP4.34
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(9H-fluoren-9-ylsulfanyl)-4-methyl-1,3-thiazol-5-yl]acetamide?
The IUPAC name of 2-[2-(9H-fluoren-9-ylsulfanyl)-4-methyl-1,3-thiazol-5-yl]acetamide (CID 24589896) is 2-[2-(9H-fluoren-9-ylsulfanyl)-4-methyl-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for 2-[2-(9H-fluoren-9-ylsulfanyl)-4-methyl-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for 2-[2-(9H-fluoren-9-ylsulfanyl)-4-methyl-1,3-thiazol-5-yl]acetamide is Cc1nc(SC2c3ccccc3-c3ccccc32)sc1CC(N)=O.
What is the InChIKey of 2-[2-(9H-fluoren-9-ylsulfanyl)-4-methyl-1,3-thiazol-5-yl]acetamide?
The InChIKey is BMINFYZPCRRIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS2/c1-11-16(10-17(20)22)23-19(21-11)24-18-14-8-4-2-6-12(14)13-7-3-5-9-15(13)18/h2-9,18H,10H2,1H3,(H2,20,22).
What are the key properties of 2-[2-(9H-fluoren-9-ylsulfanyl)-4-methyl-1,3-thiazol-5-yl]acetamide?
2-[2-(9H-fluoren-9-ylsulfanyl)-4-methyl-1,3-thiazol-5-yl]acetamide has a molecular weight of 352.48 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9H-fluoren-9-ylsulfanyl)-4-methyl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 24589896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).