N-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine

C10H18N4S — CID 65267506

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCCN1CCC(CNc2nc(C)ns2)C1
InChIInChI=1S/C10H18N4S/c1-3-14-5-4-9(7-14)6-11-10-12-8(2)13-15-10/h9H,3-7H2,1-2H3,(H,11,12,13)
InChIKeyZQGXPWDKBBMLCC-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.60
Rot. Bonds4

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

N-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 65267506) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID65267506
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCCN1CCC(CNc2nc(C)ns2)C1
InChIInChI=1S/C10H18N4S/c1-3-14-5-4-9(7-14)6-11-10-12-8(2)13-15-10/h9H,3-7H2,1-2H3,(H,11,12,13)
InChIKeyZQGXPWDKBBMLCC-UHFFFAOYSA-N
XLogP1.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole
CID 14763513
3-Methyl-5-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazole
CID 14763515
N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 122149506
3-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65267507
3-tert-butyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271052
3-propan-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271108
3-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271109
3-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271165
3-ethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271166
3-tert-butyl-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 97052697
3-tert-butyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 97052698
N-[(1-ethylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304734

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 65267506) is N-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine is CCN1CCC(CNc2nc(C)ns2)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is ZQGXPWDKBBMLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-3-14-5-4-9(7-14)6-11-10-12-8(2)13-15-10/h9H,3-7H2,1-2H3,(H,11,12,13).
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 226.35 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).