N-(azetidin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine

C8H14N4S — CID 66214743

IUPACN-(azetidin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCN(c1ncns1)C1CNC1
InChIInChI=1S/C8H14N4S/c1-2-3-12(7-4-9-5-7)8-10-6-11-13-8/h6-7,9H,2-5H2,1H3
InChIKeySCAIWFFJJYBFOU-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.73
Rot. Bonds4

About N-(azetidin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine

N-(azetidin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 66214743) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine
PubChem CID66214743
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC NameN-(azetidin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCN(c1ncns1)C1CNC1
InChIInChI=1S/C8H14N4S/c1-2-3-12(7-4-9-5-7)8-10-6-11-13-8/h6-7,9H,2-5H2,1H3
InChIKeySCAIWFFJJYBFOU-UHFFFAOYSA-N
XLogP0.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(azetidin-3-yl)-3-methyl-N-propylpyrazin-2-amine
CID 83062619
N-(azetidin-3-yl)-3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine
CID 66213928
N-(azetidin-3-yl)-3-cyclopropyl-N-propyl-1,2,4-thiadiazol-5-amine
CID 66213937
N-(azetidin-3-yl)-5-chloro-N-propylpyrimidin-4-amine
CID 105370030
6-[azetidin-3-yl(propyl)amino]pyridine-3-carbonitrile
CID 66214140
N'-cyclohexyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65270703
N-(azetidin-3-yl)-3-fluoro-N-propylpyridin-2-amine
CID 66216548
N-(piperidin-2-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 106642542
N-(azetidin-3-yl)-2,6-dimethyl-N-propylpyrimidin-4-amine
CID 66214933
N-(azetidin-3-yl)-4,6-dimethoxy-N-propyl-1,3,5-triazin-2-amine
CID 66213927
3-[azetidin-3-yl(propyl)amino]-1-methylpyrazin-2-one
CID 66216539
N-(azetidin-3-yl)-7-methoxy-N-propylisoquinolin-1-amine
CID 106540822

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(azetidin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine (CID 66214743) is N-(azetidin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(azetidin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(azetidin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine is CCCN(c1ncns1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is SCAIWFFJJYBFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-2-3-12(7-4-9-5-7)8-10-6-11-13-8/h6-7,9H,2-5H2,1H3.
What are the key properties of N-(azetidin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine?
N-(azetidin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 198.29 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 66214743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).