N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide

C12H18N4O2S — CID 91838331

IUPACN-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCc1nnc(CNC(=O)CCCN2CCCC2=O)s1
InChIInChI=1S/C12H18N4O2S/c1-9-14-15-11(19-9)8-13-10(17)4-2-6-16-7-3-5-12(16)18/h2-8H2,1H3,(H,13,17)
InChIKeyBJFHGDAIXYMYIS-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.87
Rot. Bonds6

About N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide

N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 91838331) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID91838331
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCc1nnc(CNC(=O)CCCN2CCCC2=O)s1
InChIInChI=1S/C12H18N4O2S/c1-9-14-15-11(19-9)8-13-10(17)4-2-6-16-7-3-5-12(16)18/h2-8H2,1H3,(H,13,17)
InChIKeyBJFHGDAIXYMYIS-UHFFFAOYSA-N
XLogP0.87
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]butanamide
CID 110870149
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 91760078
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 91838881
5-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46354459
N-[(1-methylcyclopentyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 131926304
3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-thiadiazole-5-carboxamide
CID 71807161
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 72894736
7-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]heptanamide
CID 119671569
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 131908174
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 47143924
4-(2-oxoazepan-1-yl)butanamide
CID 90945049

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide (CID 91838331) is N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide is Cc1nnc(CNC(=O)CCCN2CCCC2=O)s1.
What is the InChIKey of N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is BJFHGDAIXYMYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-9-14-15-11(19-9)8-13-10(17)4-2-6-16-7-3-5-12(16)18/h2-8H2,1H3,(H,13,17).
What are the key properties of N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 282.37 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 91838331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).