1-(1,2,5-thiadiazol-3-yl)pentan-1-amine

C7H13N3S — CID 105125486

IUPAC1-(1,2,5-thiadiazol-3-yl)pentan-1-amine
SMILESCCCCC(N)c1cnsn1
InChIInChI=1S/C7H13N3S/c1-2-3-4-6(8)7-5-9-11-10-7/h5-6H,2-4,8H2,1H3
InChIKeyHPJXMWMCYPOYRB-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.73
Rot. Bonds4

About 1-(1,2,5-thiadiazol-3-yl)pentan-1-amine

1-(1,2,5-thiadiazol-3-yl)pentan-1-amine (PubChem CID 105125486) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is 1-(1,2,5-thiadiazol-3-yl)pentan-1-amine.

Molecular Properties

Compound Name1-(1,2,5-thiadiazol-3-yl)pentan-1-amine
PubChem CID105125486
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name1-(1,2,5-thiadiazol-3-yl)pentan-1-amine
SMILESCCCCC(N)c1cnsn1
InChIInChI=1S/C7H13N3S/c1-2-3-4-6(8)7-5-9-11-10-7/h5-6H,2-4,8H2,1H3
InChIKeyHPJXMWMCYPOYRB-UHFFFAOYSA-N
XLogP1.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-methyl-1-(1,2,5-thiadiazol-3-yl)heptan-1-amine
CID 105102816
N-ethyl-1-(1,2,5-thiadiazol-3-yl)undecan-1-amine
CID 105138214
(1S)-1-(5-methyl-2-pyridinyl)pentan-1-amine
CID 55275982
3-hexan-2-yloxy-1,2,5-thiadiazole
CID 23294146
1-(5-bromo-2-pyridinyl)pentan-1-amine
CID 70087058
4-(1,2,5-thiadiazol-3-yl)pentane-1-thiol
CID 139318247
(1S)-1-(6-methyl-2-pyridinyl)pentan-1-amine
CID 96644379
N,2-diethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
CID 105168600
1-(5-methylpyrazin-2-yl)hexan-1-amine
CID 105129918
2-(2-methoxyphenyl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105107532
4-ethylsulfonyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
CID 105152621
(3-methyl-1,2-thiazol-5-yl)-(1,2,5-thiadiazol-3-yl)methanamine
CID 126985760

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,5-thiadiazol-3-yl)pentan-1-amine?
The IUPAC name of 1-(1,2,5-thiadiazol-3-yl)pentan-1-amine (CID 105125486) is 1-(1,2,5-thiadiazol-3-yl)pentan-1-amine.
What is the SMILES notation for 1-(1,2,5-thiadiazol-3-yl)pentan-1-amine?
The canonical SMILES for 1-(1,2,5-thiadiazol-3-yl)pentan-1-amine is CCCCC(N)c1cnsn1.
What is the InChIKey of 1-(1,2,5-thiadiazol-3-yl)pentan-1-amine?
The InChIKey is HPJXMWMCYPOYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-2-3-4-6(8)7-5-9-11-10-7/h5-6H,2-4,8H2,1H3.
What are the key properties of 1-(1,2,5-thiadiazol-3-yl)pentan-1-amine?
1-(1,2,5-thiadiazol-3-yl)pentan-1-amine has a molecular weight of 171.27 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,5-thiadiazol-3-yl)pentan-1-amine is sourced from PubChem (CID 105125486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).