2-phenylsulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C13H15N3OS2 — CID 700480

IUPAC2-phenylsulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CSc2ccccc2)s1
InChIInChI=1S/C13H15N3OS2/c1-9(2)12-15-16-13(19-12)14-11(17)8-18-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,16,17)
InChIKeySYQXWVXXMFIEBH-UHFFFAOYSA-N
MW293.42 g/mol
LogP3.39
Rot. Bonds5

About 2-phenylsulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

2-phenylsulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 700480) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID700480
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC Name2-phenylsulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CSc2ccccc2)s1
InChIInChI=1S/C13H15N3OS2/c1-9(2)12-15-16-13(19-12)14-11(17)8-18-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,16,17)
InChIKeySYQXWVXXMFIEBH-UHFFFAOYSA-N
XLogP3.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-phenylmethanesulfonyl-acetamide
CID 1091332
2-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2990341
N-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-2-(toluene-4-sulfonyl)-acetamide
CID 3163429
3-(benzenesulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 3163457
3-(benzenesulfonyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide
CID 3163459
3-Benzenesulfonyl-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-propionamide
CID 6493261
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 697577
N-(5-Methoxymethyl-[1,3,4]thiadiazol-2-yl)-2-p-tolylsulfanyl-acetamide
CID 649650
N-(5-{[(4-fluorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)propanamide
CID 879486
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(4-methylphenyl)sulfanyl]acetamide
CID 1094109
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-phenylsulfanylpropanamide
CID 1251582
N-[5-(2-Fluoro-benzylsulfanylmethyl)-[1,3,4]thiadiazol-2-yl]-isobutyramide
CID 1393290

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-phenylsulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 700480) is 2-phenylsulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-phenylsulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-phenylsulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is CC(C)c1nnc(NC(=O)CSc2ccccc2)s1.
What is the InChIKey of 2-phenylsulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is SYQXWVXXMFIEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-9(2)12-15-16-13(19-12)14-11(17)8-18-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,16,17).
What are the key properties of 2-phenylsulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-phenylsulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 293.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 700480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).