N-[5-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide

C16H18N6OS2 — CID 71450046

IUPACN-[5-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
SMILESNc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)s1
InChIInChI=1S/C16H18N6OS2/c17-15-21-19-13(24-15)8-4-5-9-14-20-22-16(25-14)18-12(23)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H2,17,21)(H,18,22,23)
InChIKeyCDZSRJONOQIGDJ-UHFFFAOYSA-N
MW374.50 g/mol
LogP2.72
Rot. Bonds8

About N-[5-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide

N-[5-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide (PubChem CID 71450046) has the molecular formula C16H18N6OS2 and a molecular weight of 374.50 g/mol. Its IUPAC name is N-[5-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
PubChem CID71450046
Molecular FormulaC16H18N6OS2
Molecular Weight374.50 g/mol
Exact Mass374.10
IUPAC NameN-[5-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
SMILESNc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)s1
InChIInChI=1S/C16H18N6OS2/c17-15-21-19-13(24-15)8-4-5-9-14-20-22-16(25-14)18-12(23)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H2,17,21)(H,18,22,23)
InChIKeyCDZSRJONOQIGDJ-UHFFFAOYSA-N
XLogP2.72
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N,N'-[sulfanediylbis(Ethane-2,1-Diyl-1,3,4-Thiadiazole-5,2-Diyl)]bis(2-Phenylacetamide)
CID 3372016
N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 821478
2-Phenyl-~{n}-[5-[(1~{s},3~{s})-3-[5-(2-Phenylethanoylamino)-1,3,4-Thiadiazol-2-Yl]cyclohexyl]-1,3,4-Thiadiazol-2-Yl]ethanamide
CID 74223468
N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide
CID 816787
2,2-Dimethyl-N-(5-phenethyl-[1,3,4]thiadiazol-2-yl)-propionamide
CID 821488
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
CID 975548
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 3120394
3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 3158290
2-methyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 3254349
3,3-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 3979946
N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride
CID 23724219
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide
CID 665668

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
The IUPAC name of N-[5-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide (CID 71450046) is N-[5-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[5-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[5-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide is Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)s1.
What is the InChIKey of N-[5-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
The InChIKey is CDZSRJONOQIGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS2/c17-15-21-19-13(24-15)8-4-5-9-14-20-22-16(25-14)18-12(23)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H2,17,21)(H,18,22,23).
What are the key properties of N-[5-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
N-[5-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide has a molecular weight of 374.50 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 71450046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).