4-ethyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide;hydrochloride

C10H17ClN4OS — CID 119510567

IUPAC4-ethyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide;hydrochloride
SMILESCCc1nnsc1C(=O)NCC1CCCN1.Cl
InChIInChI=1S/C10H16N4OS.ClH/c1-2-8-9(16-14-13-8)10(15)12-6-7-4-3-5-11-7;/h7,11H,2-6H2,1H3,(H,12,15);1H
InChIKeyNSACKBQKCFKPIG-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.00
Rot. Bonds4

About 4-ethyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide;hydrochloride

4-ethyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide;hydrochloride (PubChem CID 119510567) has the molecular formula C10H17ClN4OS and a molecular weight of 276.79 g/mol. Its IUPAC name is 4-ethyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-ethyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide;hydrochloride
PubChem CID119510567
Molecular FormulaC10H17ClN4OS
Molecular Weight276.79 g/mol
Exact Mass276.08
IUPAC Name4-ethyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide;hydrochloride
SMILESCCc1nnsc1C(=O)NCC1CCCN1.Cl
InChIInChI=1S/C10H16N4OS.ClH/c1-2-8-9(16-14-13-8)10(15)12-6-7-4-3-5-11-7;/h7,11H,2-6H2,1H3,(H,12,15);1H
InChIKeyNSACKBQKCFKPIG-UHFFFAOYSA-N
XLogP1.00
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide
CID 62541807
4-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiadiazole-5-carboxamide
CID 102703524
3-ethyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 62541792
4-ethyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thiadiazole-5-carboxamide
CID 47082393
4-ethyl-N-[2-(methylamino)ethyl]thiadiazole-5-carboxamide
CID 65210280
4-ethyl-N-[2-(methylamino)propyl]thiadiazole-5-carboxamide
CID 120831305
N-(1-adamantylmethyl)-4-ethylthiadiazole-5-carboxamide
CID 9192834
N-[[1-(chloromethyl)cyclopropyl]methyl]-4-ethylthiadiazole-5-carboxamide
CID 115456007
4-ethyl-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide
CID 95221676
3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide
CID 66122699
4-ethyl-N-[(3-methylpiperidin-3-yl)methyl]thiadiazole-5-carboxamide
CID 113400500
4-ethyl-5-propyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 119511984

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide;hydrochloride?
The IUPAC name of 4-ethyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide;hydrochloride (CID 119510567) is 4-ethyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 4-ethyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide;hydrochloride?
The canonical SMILES for 4-ethyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide;hydrochloride is CCc1nnsc1C(=O)NCC1CCCN1.Cl.
What is the InChIKey of 4-ethyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide;hydrochloride?
The InChIKey is NSACKBQKCFKPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS.ClH/c1-2-8-9(16-14-13-8)10(15)12-6-7-4-3-5-11-7;/h7,11H,2-6H2,1H3,(H,12,15);1H.
What are the key properties of 4-ethyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide;hydrochloride?
4-ethyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide;hydrochloride has a molecular weight of 276.79 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119510567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).