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

C11H20N4S — CID 66213928

IUPACN-(azetidin-3-yl)-3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCN(c1nc(C(C)C)ns1)C1CNC1
InChIInChI=1S/C11H20N4S/c1-4-5-15(9-6-12-7-9)11-13-10(8(2)3)14-16-11/h8-9,12H,4-7H2,1-3H3
InChIKeyMNVZNAQNQRMKOO-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.85
Rot. Bonds5

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

N-(azetidin-3-yl)-3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 66213928) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is N-(azetidin-3-yl)-3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine
PubChem CID66213928
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC NameN-(azetidin-3-yl)-3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCN(c1nc(C(C)C)ns1)C1CNC1
InChIInChI=1S/C11H20N4S/c1-4-5-15(9-6-12-7-9)11-13-10(8(2)3)14-16-11/h8-9,12H,4-7H2,1-3H3
InChIKeyMNVZNAQNQRMKOO-UHFFFAOYSA-N
XLogP1.85
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(azetidin-3-yl)-3-cyclopropyl-N-propyl-1,2,4-thiadiazol-5-amine
CID 66213937
2-[cyclopentyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65275448
N-cyclopropyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 106643898
N-(azetidin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 66214743
N-(azetidin-3-yl)-3-tert-butyl-N-ethyl-1,2,4-thiadiazol-5-amine
CID 66184116
N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propylazetidin-3-amine
CID 66214893
N-(azetidin-3-yl)-4,6-dimethoxy-N-propyl-1,3,5-triazin-2-amine
CID 66213927
N-(azetidin-3-yl)-6-methoxy-N-propylpyridin-2-amine
CID 66214329
N-(azetidin-3-yl)-2,6-dimethyl-N-propylpyrimidin-4-amine
CID 66214933
4-bromo-N-propyl-N-pyrrolidin-3-yl-1,3-thiazol-2-amine
CID 79400155
N-(azetidin-3-yl)-3-methyl-N-propylpyrazin-2-amine
CID 83062619
N-(2-chloropropyl)-N-methyl-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65278099

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(azetidin-3-yl)-3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine (CID 66213928) is N-(azetidin-3-yl)-3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(azetidin-3-yl)-3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(azetidin-3-yl)-3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine is CCCN(c1nc(C(C)C)ns1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is MNVZNAQNQRMKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-4-5-15(9-6-12-7-9)11-13-10(8(2)3)14-16-11/h8-9,12H,4-7H2,1-3H3.
What are the key properties of N-(azetidin-3-yl)-3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine?
N-(azetidin-3-yl)-3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 240.38 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 66213928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).