N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[1-(2-methylpropyl)pyrrolidin-2-yl]thiophene-2-carboxamide

C17H24N4OS2 — CID 45196366

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[1-(2-methylpropyl)pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCCc1nnc(NC(=O)c2ccc(C3CCCN3CC(C)C)s2)s1
InChIInChI=1S/C17H24N4OS2/c1-4-15-19-20-17(24-15)18-16(22)14-8-7-13(23-14)12-6-5-9-21(12)10-11(2)3/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,18,20,22)
InChIKeyVSBYSKGYALWIQC-UHFFFAOYSA-N
MW364.54 g/mol
LogP4.21
Rot. Bonds6

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[1-(2-methylpropyl)pyrrolidin-2-yl]thiophene-2-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[1-(2-methylpropyl)pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 45196366) has the molecular formula C17H24N4OS2 and a molecular weight of 364.54 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[1-(2-methylpropyl)pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[1-(2-methylpropyl)pyrrolidin-2-yl]thiophene-2-carboxamide
PubChem CID45196366
Molecular FormulaC17H24N4OS2
Molecular Weight364.54 g/mol
Exact Mass364.14
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[1-(2-methylpropyl)pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCCc1nnc(NC(=O)c2ccc(C3CCCN3CC(C)C)s2)s1
InChIInChI=1S/C17H24N4OS2/c1-4-15-19-20-17(24-15)18-16(22)14-8-7-13(23-14)12-6-5-9-21(12)10-11(2)3/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,18,20,22)
InChIKeyVSBYSKGYALWIQC-UHFFFAOYSA-N
XLogP4.21
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[1-(2-methylpropyl)pyrrolidin-2-yl]thiophene-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[1-(2-methylpropyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[1-(2-methylpropyl)pyrrolidin-2-yl]thiophene-2-carboxamide (CID 45196366) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[1-(2-methylpropyl)pyrrolidin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[1-(2-methylpropyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[1-(2-methylpropyl)pyrrolidin-2-yl]thiophene-2-carboxamide is CCc1nnc(NC(=O)c2ccc(C3CCCN3CC(C)C)s2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[1-(2-methylpropyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The InChIKey is VSBYSKGYALWIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS2/c1-4-15-19-20-17(24-15)18-16(22)14-8-7-13(23-14)12-6-5-9-21(12)10-11(2)3/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,18,20,22).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[1-(2-methylpropyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[1-(2-methylpropyl)pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 364.54 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[1-(2-methylpropyl)pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 45196366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).