4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine

C14H27N5S — CID 79312747

IUPAC4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(C)CC1CCCN1CC
InChIInChI=1S/C14H27N5S/c1-4-8-15-14-13(16-17-20-14)11-18(3)10-12-7-6-9-19(12)5-2/h12,15H,4-11H2,1-3H3
InChIKeyPONFPGGJQLVODZ-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.28
Rot. Bonds8

About 4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine

4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine (PubChem CID 79312747) has the molecular formula C14H27N5S and a molecular weight of 297.47 g/mol. Its IUPAC name is 4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
PubChem CID79312747
Molecular FormulaC14H27N5S
Molecular Weight297.47 g/mol
Exact Mass297.20
IUPAC Name4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(C)CC1CCCN1CC
InChIInChI=1S/C14H27N5S/c1-4-8-15-14-13(16-17-20-14)11-18(3)10-12-7-6-9-19(12)5-2/h12,15H,4-11H2,1-3H3
InChIKeyPONFPGGJQLVODZ-UHFFFAOYSA-N
XLogP2.28
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidin-2-yl]methanol
CID 62208088
5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80608789
5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-2-amine
CID 79309758
4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 79313837
N-ethyl-2-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide
CID 62209620
2-[cyclopropyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol
CID 62208996
2-methyl-3-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]propanenitrile
CID 62183362
4-[(3-propoxypiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine
CID 62207774
N-tert-butyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 79314054
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-propylhexane-1,6-diamine
CID 79313161
4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-N-propylthiadiazol-5-amine
CID 62208773
4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
CID 62183351

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine (CID 79312747) is 4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CN(C)CC1CCCN1CC.
What is the InChIKey of 4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine?
The InChIKey is PONFPGGJQLVODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5S/c1-4-8-15-14-13(16-17-20-14)11-18(3)10-12-7-6-9-19(12)5-2/h12,15H,4-11H2,1-3H3.
What are the key properties of 4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine?
4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine has a molecular weight of 297.47 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 79312747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).