N-(2-aminophenyl)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

C13H17N5OS2 — CID 63738165

IUPACN-(2-aminophenyl)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCN(C)c1nnc(SCCC(=O)Nc2ccccc2N)s1
InChIInChI=1S/C13H17N5OS2/c1-18(2)12-16-17-13(21-12)20-8-7-11(19)15-10-6-4-3-5-9(10)14/h3-6H,7-8,14H2,1-2H3,(H,15,19)
InChIKeyYWGCWPKTFKZVGR-UHFFFAOYSA-N
MW323.45 g/mol
LogP2.31
Rot. Bonds6

About N-(2-aminophenyl)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

N-(2-aminophenyl)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (PubChem CID 63738165) has the molecular formula C13H17N5OS2 and a molecular weight of 323.45 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
PubChem CID63738165
Molecular FormulaC13H17N5OS2
Molecular Weight323.45 g/mol
Exact Mass323.09
IUPAC NameN-(2-aminophenyl)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCN(C)c1nnc(SCCC(=O)Nc2ccccc2N)s1
InChIInChI=1S/C13H17N5OS2/c1-18(2)12-16-17-13(21-12)20-8-7-11(19)15-10-6-4-3-5-9(10)14/h3-6H,7-8,14H2,1-2H3,(H,15,19)
InChIKeyYWGCWPKTFKZVGR-UHFFFAOYSA-N
XLogP2.31
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanehydrazide
CID 63737003
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenylpropan-1-one
CID 115659222
5-[2-(2-aminophenyl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63737804
N-(2-aminophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 60875606
methyl 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate
CID 63737450
3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 4105913
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-hydroxy-2-phenylpropanamide
CID 122154306
N-(2-aminophenyl)-3-(3-methylphenyl)sulfanylpropanamide
CID 61245255
N-(2-aminophenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide
CID 62268023
3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylsulfanylphenyl)propanamide
CID 52546899
3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylpropanamide
CID 714643
N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119422835

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N-(2-aminophenyl)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (CID 63738165) is N-(2-aminophenyl)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is CN(C)c1nnc(SCCC(=O)Nc2ccccc2N)s1.
What is the InChIKey of N-(2-aminophenyl)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is YWGCWPKTFKZVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS2/c1-18(2)12-16-17-13(21-12)20-8-7-11(19)15-10-6-4-3-5-9(10)14/h3-6H,7-8,14H2,1-2H3,(H,15,19).
What are the key properties of N-(2-aminophenyl)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
N-(2-aminophenyl)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 323.45 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 63738165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).