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

C20H20ClN5OS2 — CID 30863368

IUPACN-(4-chlorophenyl)-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(N2CCN(c3ccccc3)CC2)s1)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN5OS2/c21-15-6-8-16(9-7-15)22-18(27)14-28-20-24-23-19(29-20)26-12-10-25(11-13-26)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,22,27)
InChIKeyHGBPEPJAGTYCAD-UHFFFAOYSA-N
MW446.00 g/mol
LogP4.25
Rot. Bonds6

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

N-(4-chlorophenyl)-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 30863368) has the molecular formula C20H20ClN5OS2 and a molecular weight of 446.00 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID30863368
Molecular FormulaC20H20ClN5OS2
Molecular Weight446.00 g/mol
Exact Mass445.08
IUPAC NameN-(4-chlorophenyl)-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(N2CCN(c3ccccc3)CC2)s1)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN5OS2/c21-15-6-8-16(9-7-15)22-18(27)14-28-20-24-23-19(29-20)26-12-10-25(11-13-26)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,22,27)
InChIKeyHGBPEPJAGTYCAD-UHFFFAOYSA-N
XLogP4.25
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.00
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 30865086
N-(4-chlorophenyl)-2-[(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 20788211
N-(4-chlorophenyl)-2-[[5-(1-oxo-3H-1λ4,2-benzoselenazol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 141363528
N-(4-bromophenyl)-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 60563882
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide
CID 51579867
2-[[5-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4149083
2-benzylsulfanyl-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole
CID 30863381
2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 2400798
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 3574156
2-[4-(5-benzyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide
CID 133451787
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 47944695
2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 7894523

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 30863368) is N-(4-chlorophenyl)-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(N2CCN(c3ccccc3)CC2)s1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is HGBPEPJAGTYCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5OS2/c21-15-6-8-16(9-7-15)22-18(27)14-28-20-24-23-19(29-20)26-12-10-25(11-13-26)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,22,27).
What are the key properties of N-(4-chlorophenyl)-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-(4-chlorophenyl)-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 446.00 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 30863368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).