N-[1-(3,4-dichlorophenyl)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C16H20Cl2N4OS2 — CID 85477418

IUPACN-[1-(3,4-dichlorophenyl)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCC(C)CNc1nnc(SCC(=O)NC(C)c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C16H20Cl2N4OS2/c1-9(2)7-19-15-21-22-16(25-15)24-8-14(23)20-10(3)11-4-5-12(17)13(18)6-11/h4-6,9-10H,7-8H2,1-3H3,(H,19,21)(H,20,23)
InChIKeyILFJUMBIOPFIPM-UHFFFAOYSA-N
MW419.40 g/mol
LogP4.88
Rot. Bonds8

About N-[1-(3,4-dichlorophenyl)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-[1-(3,4-dichlorophenyl)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 85477418) has the molecular formula C16H20Cl2N4OS2 and a molecular weight of 419.40 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID85477418
Molecular FormulaC16H20Cl2N4OS2
Molecular Weight419.40 g/mol
Exact Mass418.05
IUPAC NameN-[1-(3,4-dichlorophenyl)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCC(C)CNc1nnc(SCC(=O)NC(C)c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C16H20Cl2N4OS2/c1-9(2)7-19-15-21-22-16(25-15)24-8-14(23)20-10(3)11-4-5-12(17)13(18)6-11/h4-6,9-10H,7-8H2,1-3H3,(H,19,21)(H,20,23)
InChIKeyILFJUMBIOPFIPM-UHFFFAOYSA-N
XLogP4.88
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
CID 9379650
N-[1-(4-chlorophenyl)ethyl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 78811979
N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 27987886
N-acetyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9379661
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 7737918
2-[[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 46626813
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8633686
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 46562996
2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 9327039
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9487498
N-[(3,4-dimethylphenyl)carbamoyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9475840
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
CID 46815152

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 85477418) is N-[1-(3,4-dichlorophenyl)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CC(C)CNc1nnc(SCC(=O)NC(C)c2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is ILFJUMBIOPFIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N4OS2/c1-9(2)7-19-15-21-22-16(25-15)24-8-14(23)20-10(3)11-4-5-12(17)13(18)6-11/h4-6,9-10H,7-8H2,1-3H3,(H,19,21)(H,20,23).
What are the key properties of N-[1-(3,4-dichlorophenyl)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-[1-(3,4-dichlorophenyl)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 419.40 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 85477418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).