N-cyclopropyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine

C10H15N3OS — CID 65334094

IUPACN-cyclopropyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine
SMILESC1COCC(c2nsc(NC3CC3)n2)C1
InChIInChI=1S/C10H15N3OS/c1-2-7(6-14-5-1)9-12-10(15-13-9)11-8-3-4-8/h7-8H,1-6H2,(H,11,12,13)
InChIKeyHYPXUVDAGVZFDY-UHFFFAOYSA-N
MW225.32 g/mol
LogP2.01
Rot. Bonds3

About N-cyclopropyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine

N-cyclopropyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65334094) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is N-cyclopropyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65334094
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC NameN-cyclopropyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine
SMILESC1COCC(c2nsc(NC3CC3)n2)C1
InChIInChI=1S/C10H15N3OS/c1-2-7(6-14-5-1)9-12-10(15-13-9)11-8-3-4-8/h7-8H,1-6H2,(H,11,12,13)
InChIKeyHYPXUVDAGVZFDY-UHFFFAOYSA-N
XLogP2.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-3-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine
CID 65329186
4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 65272703
N-cyclopropyl-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-thiadiazol-5-amine
CID 112681783
N-cyclopropyl-3-(4-propylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 65400997
2-[4-[(3-cyclobutyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936118
N-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 97161055
N-cyclopropyl-3-(4-methylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine
CID 79085205
N-cyclopropyl-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65269115
N-[4-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]-1-methyl-1,2,4-triazole-3-carboxamide
CID 138007267
3-cyclopropyl-N-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine
CID 65276548
4,6-dichloro-2-(oxan-3-yl)pyrimidine
CID 63738240
3-cyclobutyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268424

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-cyclopropyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine (CID 65334094) is N-cyclopropyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-cyclopropyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-cyclopropyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine is C1COCC(c2nsc(NC3CC3)n2)C1.
What is the InChIKey of N-cyclopropyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is HYPXUVDAGVZFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-2-7(6-14-5-1)9-12-10(15-13-9)11-8-3-4-8/h7-8H,1-6H2,(H,11,12,13).
What are the key properties of N-cyclopropyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine?
N-cyclopropyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 225.32 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65334094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).