4-ethyl-N-(2-pyrrolidin-1-ylpropyl)thiadiazole-5-carboxamide

C12H20N4OS — CID 47031097

IUPAC4-ethyl-N-(2-pyrrolidin-1-ylpropyl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCC(C)N1CCCC1
InChIInChI=1S/C12H20N4OS/c1-3-10-11(18-15-14-10)12(17)13-8-9(2)16-6-4-5-7-16/h9H,3-8H2,1-2H3,(H,13,17)
InChIKeyFGHOPXFUJSVBGI-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.31
Rot. Bonds5

About 4-ethyl-N-(2-pyrrolidin-1-ylpropyl)thiadiazole-5-carboxamide

4-ethyl-N-(2-pyrrolidin-1-ylpropyl)thiadiazole-5-carboxamide (PubChem CID 47031097) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 4-ethyl-N-(2-pyrrolidin-1-ylpropyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(2-pyrrolidin-1-ylpropyl)thiadiazole-5-carboxamide
PubChem CID47031097
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name4-ethyl-N-(2-pyrrolidin-1-ylpropyl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCC(C)N1CCCC1
InChIInChI=1S/C12H20N4OS/c1-3-10-11(18-15-14-10)12(17)13-8-9(2)16-6-4-5-7-16/h9H,3-8H2,1-2H3,(H,13,17)
InChIKeyFGHOPXFUJSVBGI-UHFFFAOYSA-N
XLogP1.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)thiadiazole-5-carboxamide
CID 39999733
4-ethyl-N-(2-piperidin-1-ylethyl)thiadiazole-5-carboxamide
CID 45893429
N-[2-(azepan-1-yl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 47168544
4-Ethyl-N-[2-(1-isopropylpiperidin-3-YL)ethyl]-1,2,3-thiadiazole-5-carboxamide
CID 56701372
N,N,4-triethyl-1,2,3-thiadiazole-5-carboxamide
CID 51073256
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-4-propyl-1,2,3-thiadiazole-5-carboxamide
CID 71789237
N-cycloheptyl-4-ethylthiadiazole-5-carboxamide
CID 9192469
4-ethyl-N-[3-(2-methylpropoxy)propyl]thiadiazole-5-carboxamide
CID 45796421
4-ethyl-N-[2-(2-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide
CID 45819986
4-ethyl-N-(1-morpholin-4-ylpropan-2-yl)thiadiazole-5-carboxamide
CID 45823732
4-ethyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 51073960
1-[4-(4-Ethylthiadiazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 53505982

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-pyrrolidin-1-ylpropyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(2-pyrrolidin-1-ylpropyl)thiadiazole-5-carboxamide (CID 47031097) is 4-ethyl-N-(2-pyrrolidin-1-ylpropyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(2-pyrrolidin-1-ylpropyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(2-pyrrolidin-1-ylpropyl)thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCC(C)N1CCCC1.
What is the InChIKey of 4-ethyl-N-(2-pyrrolidin-1-ylpropyl)thiadiazole-5-carboxamide?
The InChIKey is FGHOPXFUJSVBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-3-10-11(18-15-14-10)12(17)13-8-9(2)16-6-4-5-7-16/h9H,3-8H2,1-2H3,(H,13,17).
What are the key properties of 4-ethyl-N-(2-pyrrolidin-1-ylpropyl)thiadiazole-5-carboxamide?
4-ethyl-N-(2-pyrrolidin-1-ylpropyl)thiadiazole-5-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-pyrrolidin-1-ylpropyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 47031097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).