N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide

C13H15N3OS — CID 684148

IUPACN-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C13H15N3OS/c1-2-6-11(17)14-13-16-15-12(18-13)9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3,(H,14,16,17)
InChIKeyYSRDUVDTLWERHU-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.87
Rot. Bonds5

About N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide

N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 684148) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID684148
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C13H15N3OS/c1-2-6-11(17)14-13-16-15-12(18-13)9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3,(H,14,16,17)
InChIKeyYSRDUVDTLWERHU-UHFFFAOYSA-N
XLogP2.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 821478
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
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-(4-Fluoro-benzylsulfanylmethyl)-[1,3,4]thiadiazol-2-yl]-3-methyl-butyramide
CID 921781
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
CID 975548
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-phenylmethanesulfonyl-acetamide
CID 1091332
3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]but-2-enamide
CID 1451472
3-ethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 2974277
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

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide (CID 684148) is N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide is CCCC(=O)Nc1nnc(Cc2ccccc2)s1.
What is the InChIKey of N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is YSRDUVDTLWERHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-2-6-11(17)14-13-16-15-12(18-13)9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3,(H,14,16,17).
What are the key properties of N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide?
N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 261.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 684148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).