2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide

C10H9N3OS2 — CID 35523950

IUPAC2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CSc1ccccc1)Nc1nncs1
InChIInChI=1S/C10H9N3OS2/c14-9(12-10-13-11-7-16-10)6-15-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,13,14)
InChIKeyIEGYSNNMCZYBJR-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.27
Rot. Bonds4

About 2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide

2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 35523950) has the molecular formula C10H9N3OS2 and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID35523950
Molecular FormulaC10H9N3OS2
Molecular Weight251.34 g/mol
Exact Mass251.02
IUPAC Name2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CSc1ccccc1)Nc1nncs1
InChIInChI=1S/C10H9N3OS2/c14-9(12-10-13-11-7-16-10)6-15-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,13,14)
InChIKeyIEGYSNNMCZYBJR-UHFFFAOYSA-N
XLogP2.27
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29369356
2-(4-tert-butylphenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 5219477
2-phenylsulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 542592
2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 28698663
(3S)-5-oxo-3-phenyl-5-(1,3,4-thiadiazol-2-ylamino)pentanoic acid
CID 1085203
2-[[4-methyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 6498195
N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-2-phenylacetamide
CID 29370573
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 6501060
2-(1-phenylpyrazol-4-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370870
2-[2-[(2-phenylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 6932823
2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 4212041
2-(2-fluorophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29369711

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 35523950) is 2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide is O=C(CSc1ccccc1)Nc1nncs1.
What is the InChIKey of 2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is IEGYSNNMCZYBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS2/c14-9(12-10-13-11-7-16-10)6-15-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,13,14).
What are the key properties of 2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 251.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 35523950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).