N-(2-methylpropyl)-3-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine

C10H17N3OS — CID 65329186

IUPACN-(2-methylpropyl)-3-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CNc1nc(C2CCOC2)ns1
InChIInChI=1S/C10H17N3OS/c1-7(2)5-11-10-12-9(13-15-10)8-3-4-14-6-8/h7-8H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyRJQQWAQJTRVBLW-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.11
Rot. Bonds4

About N-(2-methylpropyl)-3-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine

N-(2-methylpropyl)-3-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65329186) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65329186
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-(2-methylpropyl)-3-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CNc1nc(C2CCOC2)ns1
InChIInChI=1S/C10H17N3OS/c1-7(2)5-11-10-12-9(13-15-10)8-3-4-14-6-8/h7-8H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyRJQQWAQJTRVBLW-UHFFFAOYSA-N
XLogP2.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-4-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 104693354
3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 112681785
1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine
CID 65275684
N-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-thiadiazol-5-amine
CID 65334797
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methylpropanoic acid
CID 65270826
N-cyclopropyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine
CID 65334094
3-cyclopropyl-N-(morpholin-3-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 103549183
1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-morpholin-4-ylpropan-2-ol
CID 133383166
N-(2-chloro-2-cyclopropylethyl)-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65277411
1-cyclopropyl-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65274384
1-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethylamino]propan-2-ol
CID 104594431
3-cyclopropyl-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine
CID 65271588

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methylpropyl)-3-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine (CID 65329186) is N-(2-methylpropyl)-3-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methylpropyl)-3-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methylpropyl)-3-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine is CC(C)CNc1nc(C2CCOC2)ns1.
What is the InChIKey of N-(2-methylpropyl)-3-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is RJQQWAQJTRVBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7(2)5-11-10-12-9(13-15-10)8-3-4-14-6-8/h7-8H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of N-(2-methylpropyl)-3-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine?
N-(2-methylpropyl)-3-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 227.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65329186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).