N-(2-pyrrolidin-3-ylethyl)-1,2,5-thiadiazole-3-carboxamide

C9H14N4OS — CID 63630234

IUPACN-(2-pyrrolidin-3-ylethyl)-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NCCC1CCNC1)c1cnsn1
InChIInChI=1S/C9H14N4OS/c14-9(8-6-12-15-13-8)11-4-2-7-1-3-10-5-7/h6-7,10H,1-5H2,(H,11,14)
InChIKeySSUXSDGTOWLOMX-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.27
Rot. Bonds4

About N-(2-pyrrolidin-3-ylethyl)-1,2,5-thiadiazole-3-carboxamide

N-(2-pyrrolidin-3-ylethyl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 63630234) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is N-(2-pyrrolidin-3-ylethyl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-3-ylethyl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID63630234
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC NameN-(2-pyrrolidin-3-ylethyl)-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NCCC1CCNC1)c1cnsn1
InChIInChI=1S/C9H14N4OS/c14-9(8-6-12-15-13-8)11-4-2-7-1-3-10-5-7/h6-7,10H,1-5H2,(H,11,14)
InChIKeySSUXSDGTOWLOMX-UHFFFAOYSA-N
XLogP0.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclohexylethyl)-1,2,5-thiadiazole-3-carboxamide
CID 47338961
N-[(3R)-pyrrolidin-3-yl]-1,2,5-thiadiazole-3-carboxamide
CID 79685297
5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 63622674
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
5-hydroxy-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide
CID 55257173
N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 63622870
5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-4-carboxamide
CID 63628731
2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)triazole-4-carboxamide;hydrochloride
CID 119535740
4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119537522
4-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119533474
2-phenyl-N-(2-pyrrolidin-3-ylethyl)-1,3-oxazole-4-carboxamide
CID 119538139
N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 63627853

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-3-ylethyl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(2-pyrrolidin-3-ylethyl)-1,2,5-thiadiazole-3-carboxamide (CID 63630234) is N-(2-pyrrolidin-3-ylethyl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(2-pyrrolidin-3-ylethyl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(2-pyrrolidin-3-ylethyl)-1,2,5-thiadiazole-3-carboxamide is O=C(NCCC1CCNC1)c1cnsn1.
What is the InChIKey of N-(2-pyrrolidin-3-ylethyl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is SSUXSDGTOWLOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c14-9(8-6-12-15-13-8)11-4-2-7-1-3-10-5-7/h6-7,10H,1-5H2,(H,11,14).
What are the key properties of N-(2-pyrrolidin-3-ylethyl)-1,2,5-thiadiazole-3-carboxamide?
N-(2-pyrrolidin-3-ylethyl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-3-ylethyl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 63630234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).