2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzyl-N-(2-phenylethyl)acetamide

C19H20N4OS2 — CID 4814614

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzyl-N-(2-phenylethyl)acetamide
SMILESNc1nnc(SCC(=O)N(CCc2ccccc2)Cc2ccccc2)s1
InChIInChI=1S/C19H20N4OS2/c20-18-21-22-19(26-18)25-14-17(24)23(13-16-9-5-2-6-10-16)12-11-15-7-3-1-4-8-15/h1-10H,11-14H2,(H2,20,21)
InChIKeyVCUFYKIGRTZDKH-UHFFFAOYSA-N
MW384.53 g/mol
LogP3.48
Rot. Bonds8

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzyl-N-(2-phenylethyl)acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzyl-N-(2-phenylethyl)acetamide (PubChem CID 4814614) has the molecular formula C19H20N4OS2 and a molecular weight of 384.53 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzyl-N-(2-phenylethyl)acetamide
PubChem CID4814614
Molecular FormulaC19H20N4OS2
Molecular Weight384.53 g/mol
Exact Mass384.11
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzyl-N-(2-phenylethyl)acetamide
SMILESNc1nnc(SCC(=O)N(CCc2ccccc2)Cc2ccccc2)s1
InChIInChI=1S/C19H20N4OS2/c20-18-21-22-19(26-18)25-14-17(24)23(13-16-9-5-2-6-10-16)12-11-15-7-3-1-4-8-15/h1-10H,11-14H2,(H2,20,21)
InChIKeyVCUFYKIGRTZDKH-UHFFFAOYSA-N
XLogP3.48
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzyl-N-(2-methoxyethyl)acetamide
CID 9199507
3-[benzyl-[2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]propanamide
CID 24571885
5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 6494481
N-benzyl-2-methylsulfanyl-N-(2-phenylethyl)acetamide
CID 112791256
N-benzyl-N-ethyl-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8874060
N-benzyl-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-ethylacetamide
CID 18194116
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
N-benzyl-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 4882757
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 9199506
N-benzyl-N-ethyl-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 23932987
3-[benzyl-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]propanamide
CID 112805239
N-benzyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 29406867

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzyl-N-(2-phenylethyl)acetamide (CID 4814614) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzyl-N-(2-phenylethyl)acetamide is Nc1nnc(SCC(=O)N(CCc2ccccc2)Cc2ccccc2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzyl-N-(2-phenylethyl)acetamide?
The InChIKey is VCUFYKIGRTZDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS2/c20-18-21-22-19(26-18)25-14-17(24)23(13-16-9-5-2-6-10-16)12-11-15-7-3-1-4-8-15/h1-10H,11-14H2,(H2,20,21).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzyl-N-(2-phenylethyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzyl-N-(2-phenylethyl)acetamide has a molecular weight of 384.53 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 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]-N-benzyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 4814614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).