N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-ylpropanamide

C12H15N3OS2 — CID 78801819

IUPACN-(5-propyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-ylpropanamide
SMILESCCCc1nnc(NC(=O)CCc2ccsc2)s1
InChIInChI=1S/C12H15N3OS2/c1-2-3-11-14-15-12(18-11)13-10(16)5-4-9-6-7-17-8-9/h6-8H,2-5H2,1H3,(H,13,15,16)
InChIKeyPKQJVFYTARWRGT-UHFFFAOYSA-N
MW281.41 g/mol
LogP3.12
Rot. Bonds6

About N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-ylpropanamide

N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-ylpropanamide (PubChem CID 78801819) has the molecular formula C12H15N3OS2 and a molecular weight of 281.41 g/mol. Its IUPAC name is N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-(5-propyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-ylpropanamide
PubChem CID78801819
Molecular FormulaC12H15N3OS2
Molecular Weight281.41 g/mol
Exact Mass281.07
IUPAC NameN-(5-propyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-ylpropanamide
SMILESCCCc1nnc(NC(=O)CCc2ccsc2)s1
InChIInChI=1S/C12H15N3OS2/c1-2-3-11-14-15-12(18-11)13-10(16)5-4-9-6-7-17-8-9/h6-8H,2-5H2,1H3,(H,13,15,16)
InChIKeyPKQJVFYTARWRGT-UHFFFAOYSA-N
XLogP3.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-propan-2-ylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 19221551
N-(4-acetyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
CID 17444833
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)propanamide
CID 2072795
3-(4-ethoxyphenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 19226109
N-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide
CID 676814
N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 3961443
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
CID 39189565
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
N-(3-bromophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1402591
N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 9109738
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-ethylphenyl)propanamide
CID 18272399

Frequently Asked Questions

What is the IUPAC name of N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-ylpropanamide?
The IUPAC name of N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-ylpropanamide (CID 78801819) is N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-ylpropanamide is CCCc1nnc(NC(=O)CCc2ccsc2)s1.
What is the InChIKey of N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-ylpropanamide?
The InChIKey is PKQJVFYTARWRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS2/c1-2-3-11-14-15-12(18-11)13-10(16)5-4-9-6-7-17-8-9/h6-8H,2-5H2,1H3,(H,13,15,16).
What are the key properties of N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-ylpropanamide?
N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-ylpropanamide has a molecular weight of 281.41 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 78801819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).