3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine

C10H17N3OS — CID 65268927

IUPAC3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(CC2CCCO2)ns1
InChIInChI=1S/C10H17N3OS/c1-2-5-11-10-12-9(13-15-10)7-8-4-3-6-14-8/h8H,2-7H2,1H3,(H,11,12,13)
InChIKeyWVNVJJPCIDHXCH-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.08
Rot. Bonds5

About 3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine

3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 65268927) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
PubChem CID65268927
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(CC2CCCO2)ns1
InChIInChI=1S/C10H17N3OS/c1-2-5-11-10-12-9(13-15-10)7-8-4-3-6-14-8/h8H,2-7H2,1H3,(H,11,12,13)
InChIKeyWVNVJJPCIDHXCH-UHFFFAOYSA-N
XLogP2.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(oxolan-2-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65276420
3-(oxolan-2-yl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65330592
5-(oxolan-2-ylmethylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 106495750
N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62745830
5-iodo-6-(methoxymethyl)-2-(oxolan-2-ylmethyl)-N-propylpyrimidin-4-amine
CID 66304470
N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 62745109
3-[(dimethylamino)methyl]-N-propyl-1,2,4-thiadiazol-5-amine
CID 79084999
N-[[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62756957
N-(2-cyclohexylethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65271632
2-[4,6-diethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]-N-methylethanamine
CID 79219301
2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 61265926
N-(2-cyclopentyloxyethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65273869

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine (CID 65268927) is 3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine is CCCNc1nc(CC2CCCO2)ns1.
What is the InChIKey of 3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is WVNVJJPCIDHXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-2-5-11-10-12-9(13-15-10)7-8-4-3-6-14-8/h8H,2-7H2,1H3,(H,11,12,13).
What are the key properties of 3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine?
3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 227.33 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).