N-[4-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]phenyl]acetamide

C13H16N4OS2 — CID 62189993

IUPACN-[4-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]phenyl]acetamide
SMILESCCNc1snnc1CSc1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H16N4OS2/c1-3-14-13-12(16-17-20-13)8-19-11-6-4-10(5-7-11)15-9(2)18/h4-7,14H,3,8H2,1-2H3,(H,15,18)
InChIKeyUGEZJKQCRZXCBT-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.22
Rot. Bonds6

About N-[4-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]phenyl]acetamide

N-[4-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]phenyl]acetamide (PubChem CID 62189993) has the molecular formula C13H16N4OS2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[4-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]phenyl]acetamide
PubChem CID62189993
Molecular FormulaC13H16N4OS2
Molecular Weight308.43 g/mol
Exact Mass308.08
IUPAC NameN-[4-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]phenyl]acetamide
SMILESCCNc1snnc1CSc1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H16N4OS2/c1-3-14-13-12(16-17-20-13)8-19-11-6-4-10(5-7-11)15-9(2)18/h4-7,14H,3,8H2,1-2H3,(H,15,18)
InChIKeyUGEZJKQCRZXCBT-UHFFFAOYSA-N
XLogP3.22
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine
CID 55044667
N-methyl-4-[(4-methylphenyl)sulfanylmethyl]thiadiazol-5-amine
CID 62189083
2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide
CID 35964472
N-ethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine
CID 62189635
N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]acetamide
CID 18209765
4-[(4-acetamidophenyl)sulfanylmethyl]benzamide
CID 27355031
N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]acetamide
CID 4795879
N-[4-[(5-amino-2-hydroxyphenyl)methylsulfanyl]phenyl]acetamide
CID 43377174
N-ethyl-4-(3-methylbutan-2-ylsulfanylmethyl)thiadiazol-5-amine
CID 107756509
N-[4-(3-amino-3-methylbutyl)sulfanylphenyl]acetamide
CID 117032830
N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide
CID 71199638
4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N-ethylthiadiazol-5-amine
CID 63737504

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]phenyl]acetamide?
The IUPAC name of N-[4-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]phenyl]acetamide (CID 62189993) is N-[4-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]phenyl]acetamide is CCNc1snnc1CSc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]phenyl]acetamide?
The InChIKey is UGEZJKQCRZXCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS2/c1-3-14-13-12(16-17-20-13)8-19-11-6-4-10(5-7-11)15-9(2)18/h4-7,14H,3,8H2,1-2H3,(H,15,18).
What are the key properties of N-[4-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]phenyl]acetamide?
N-[4-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]phenyl]acetamide has a molecular weight of 308.43 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]phenyl]acetamide is sourced from PubChem (CID 62189993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).