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

C14H11ClN4OS2 — CID 20788211

IUPACN-(4-chlorophenyl)-2-[(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-n2cccc2)s1)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN4OS2/c15-10-3-5-11(6-4-10)16-12(20)9-21-14-18-17-13(22-14)19-7-1-2-8-19/h1-8H,9H2,(H,16,20)
InChIKeyARDVUTCZQWURNZ-UHFFFAOYSA-N
MW350.86 g/mol
LogP3.71
Rot. Bonds5

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

N-(4-chlorophenyl)-2-[(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 20788211) has the molecular formula C14H11ClN4OS2 and a molecular weight of 350.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID20788211
Molecular FormulaC14H11ClN4OS2
Molecular Weight350.86 g/mol
Exact Mass350.01
IUPAC NameN-(4-chlorophenyl)-2-[(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-n2cccc2)s1)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN4OS2/c15-10-3-5-11(6-4-10)16-12(20)9-21-14-18-17-13(22-14)19-7-1-2-8-19/h1-8H,9H2,(H,16,20)
InChIKeyARDVUTCZQWURNZ-UHFFFAOYSA-N
XLogP3.71
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.86
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 30863368
N-(4-chlorophenyl)-2-[[5-(1-oxo-3H-1λ4,2-benzoselenazol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 141363528
2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide
CID 7385409
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
CID 1379298
N-(4-bromophenyl)-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 60563882
N-[5-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide
CID 40832360
N-[5-[2-(4-butylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-chlorobenzamide
CID 44956458
N-[5-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
CID 40833273
N-(4-methylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2668647
methyl 4-[[2-[[5-[2-(4-methoxycarbonylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
CID 23854147
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 628005
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 20788211) is N-(4-chlorophenyl)-2-[(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-n2cccc2)s1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is ARDVUTCZQWURNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4OS2/c15-10-3-5-11(6-4-10)16-12(20)9-21-14-18-17-13(22-14)19-7-1-2-8-19/h1-8H,9H2,(H,16,20).
What are the key properties of N-(4-chlorophenyl)-2-[(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-(4-chlorophenyl)-2-[(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 350.86 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 20788211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).