2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(2-chlorophenyl)-N-phenylacetamide

C16H13ClN4OS2 — CID 141362946

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(2-chlorophenyl)-N-phenylacetamide
SMILESNc1nnc(SC(C(=O)Nc2ccccc2)c2ccccc2Cl)s1
InChIInChI=1S/C16H13ClN4OS2/c17-12-9-5-4-8-11(12)13(23-16-21-20-15(18)24-16)14(22)19-10-6-2-1-3-7-10/h1-9,13H,(H2,18,20)(H,19,22)
InChIKeyFUUXHJGZNPUFED-UHFFFAOYSA-N
MW376.89 g/mol
LogP4.25
Rot. Bonds5

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(2-chlorophenyl)-N-phenylacetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(2-chlorophenyl)-N-phenylacetamide (PubChem CID 141362946) has the molecular formula C16H13ClN4OS2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(2-chlorophenyl)-N-phenylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(2-chlorophenyl)-N-phenylacetamide
PubChem CID141362946
Molecular FormulaC16H13ClN4OS2
Molecular Weight376.89 g/mol
Exact Mass376.02
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(2-chlorophenyl)-N-phenylacetamide
SMILESNc1nnc(SC(C(=O)Nc2ccccc2)c2ccccc2Cl)s1
InChIInChI=1S/C16H13ClN4OS2/c17-12-9-5-4-8-11(12)13(23-16-21-20-15(18)24-16)14(22)19-10-6-2-1-3-7-10/h1-9,13H,(H2,18,20)(H,19,22)
InChIKeyFUUXHJGZNPUFED-UHFFFAOYSA-N
XLogP4.25
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,2-diphenylacetamide
CID 24557252
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)-2-phenylacetamide
CID 2427044
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide
CID 51480183
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chlorophenyl)propanamide
CID 9160683
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,4-dichlorophenyl)propanamide
CID 30580924
methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(2-methylphenyl)acetate
CID 75458742
4-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]benzoic acid
CID 21232581
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 41168281
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-ethylphenyl)propanamide
CID 8632160
3-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]benzoic acid
CID 21234130
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide
CID 7760118
(2S)-N-(4-acetylphenyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 2458536

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(2-chlorophenyl)-N-phenylacetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(2-chlorophenyl)-N-phenylacetamide (CID 141362946) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(2-chlorophenyl)-N-phenylacetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(2-chlorophenyl)-N-phenylacetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(2-chlorophenyl)-N-phenylacetamide is Nc1nnc(SC(C(=O)Nc2ccccc2)c2ccccc2Cl)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(2-chlorophenyl)-N-phenylacetamide?
The InChIKey is FUUXHJGZNPUFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4OS2/c17-12-9-5-4-8-11(12)13(23-16-21-20-15(18)24-16)14(22)19-10-6-2-1-3-7-10/h1-9,13H,(H2,18,20)(H,19,22).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(2-chlorophenyl)-N-phenylacetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(2-chlorophenyl)-N-phenylacetamide has a molecular weight of 376.89 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(2-chlorophenyl)-N-phenylacetamide is sourced from PubChem (CID 141362946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).