N-(3-fluoro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C11H10FN3OS2 — CID 2507663

IUPACN-(3-fluoro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nncs2)cc1F
InChIInChI=1S/C11H10FN3OS2/c1-7-2-3-8(4-9(7)12)14-10(16)5-17-11-15-13-6-18-11/h2-4,6H,5H2,1H3,(H,14,16)
InChIKeyOFULEGNRMWSJND-UHFFFAOYSA-N
MW283.35 g/mol
LogP2.72
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-(3-fluoro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 2507663) has the molecular formula C11H10FN3OS2 and a molecular weight of 283.35 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID2507663
Molecular FormulaC11H10FN3OS2
Molecular Weight283.35 g/mol
Exact Mass283.02
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nncs2)cc1F
InChIInChI=1S/C11H10FN3OS2/c1-7-2-3-8(4-9(7)12)14-10(16)5-17-11-15-13-6-18-11/h2-4,6H,5H2,1H3,(H,14,16)
InChIKeyOFULEGNRMWSJND-UHFFFAOYSA-N
XLogP2.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532387
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 22110936
N-(3-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 7499720
2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 35987370
N,N-dimethyl-4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]benzamide
CID 2532520
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 55920830
2-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanylacetic acid
CID 43237534
N-(2-chloro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532400
N-(3-fluoro-4-methylphenyl)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8967891
N-(4-phenylmethoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 4799847
N-cyclopropyl-N-[5-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
CID 8783299
N-(3-fluoro-4-methylphenyl)-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 47106371

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 2507663) is N-(3-fluoro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is Cc1ccc(NC(=O)CSc2nncs2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is OFULEGNRMWSJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS2/c1-7-2-3-8(4-9(7)12)14-10(16)5-17-11-15-13-6-18-11/h2-4,6H,5H2,1H3,(H,14,16).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-(3-fluoro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 283.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 2507663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).