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

C7H13N3S — CID 131227051

IUPAC5-(1,2,5-thiadiazol-3-yl)pentan-2-amine
SMILESCC(N)CCCc1cnsn1
InChIInChI=1S/C7H13N3S/c1-6(8)3-2-4-7-5-9-11-10-7/h5-6H,2-4,8H2,1H3
InChIKeyFTBMNYFNZHCBKW-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.21
Rot. Bonds4

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

5-(1,2,5-thiadiazol-3-yl)pentan-2-amine (PubChem CID 131227051) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is 5-(1,2,5-thiadiazol-3-yl)pentan-2-amine.

Molecular Properties

Compound Name5-(1,2,5-thiadiazol-3-yl)pentan-2-amine
PubChem CID131227051
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name5-(1,2,5-thiadiazol-3-yl)pentan-2-amine
SMILESCC(N)CCCc1cnsn1
InChIInChI=1S/C7H13N3S/c1-6(8)3-2-4-7-5-9-11-10-7/h5-6H,2-4,8H2,1H3
InChIKeyFTBMNYFNZHCBKW-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromobutyl)-1,2,5-thiadiazole
CID 130856064
N-methyl-3-(1,2,5-thiadiazol-3-yl)propan-1-amine
CID 130815357
5-(5-bromo-3-pyridinyl)pentan-2-amine
CID 104811907
5-[(4S)-4-aminopentyl]pyridin-2-amine;dihydrochloride
CID 178024498
(2S)-5-(6-tert-butyl-4-ethyl-2-pyridinyl)pentan-2-amine
CID 90210508
(2S)-4-[6-(3-aminopropyl)-3-pyridinyl]butan-2-amine
CID 11816593
5-(5-ethylthiophen-2-yl)pentan-2-amine
CID 64502698
1,2,5-thiadiazol-3-ylmethanesulfonamide
CID 131223688
docosane-2,21-diamine
CID 150079956
4-(1,2,5-thiadiazol-3-yl)pentane-1-thiol
CID 139318247
4-(1,2,5-thiadiazol-3-ylmethyl)-1,3-thiazol-2-amine
CID 57124146
4-(4-aminopentyl)benzonitrile
CID 83927457

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,5-thiadiazol-3-yl)pentan-2-amine?
The IUPAC name of 5-(1,2,5-thiadiazol-3-yl)pentan-2-amine (CID 131227051) is 5-(1,2,5-thiadiazol-3-yl)pentan-2-amine.
What is the SMILES notation for 5-(1,2,5-thiadiazol-3-yl)pentan-2-amine?
The canonical SMILES for 5-(1,2,5-thiadiazol-3-yl)pentan-2-amine is CC(N)CCCc1cnsn1.
What is the InChIKey of 5-(1,2,5-thiadiazol-3-yl)pentan-2-amine?
The InChIKey is FTBMNYFNZHCBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-6(8)3-2-4-7-5-9-11-10-7/h5-6H,2-4,8H2,1H3.
What are the key properties of 5-(1,2,5-thiadiazol-3-yl)pentan-2-amine?
5-(1,2,5-thiadiazol-3-yl)pentan-2-amine has a molecular weight of 171.27 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,5-thiadiazol-3-yl)pentan-2-amine is sourced from PubChem (CID 131227051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).