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

C9H15N3OS — CID 65330592

IUPAC3-(oxolan-2-yl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(C2CCCO2)ns1
InChIInChI=1S/C9H15N3OS/c1-2-5-10-9-11-8(12-14-9)7-4-3-6-13-7/h7H,2-6H2,1H3,(H,10,11,12)
InChIKeyWOCORNWBHKWSFE-UHFFFAOYSA-N
MW213.31 g/mol
LogP2.21
Rot. Bonds4

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

3-(oxolan-2-yl)-N-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 65330592) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-N-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(oxolan-2-yl)-N-propyl-1,2,4-thiadiazol-5-amine
PubChem CID65330592
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name3-(oxolan-2-yl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(C2CCCO2)ns1
InChIInChI=1S/C9H15N3OS/c1-2-5-10-9-11-8(12-14-9)7-4-3-6-13-7/h7H,2-6H2,1H3,(H,10,11,12)
InChIKeyWOCORNWBHKWSFE-UHFFFAOYSA-N
XLogP2.21
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65268927
2-(oxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 65328554
2-(oxolan-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472619
N-[2-(oxolan-2-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65276420
4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
CID 82423655
3-(3,4-dihydro-2H-chromen-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65405691
N-ethyl-3-(4-ethylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine
CID 79669066
3-(4-methylthiomorpholin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 106446176
N-(2-methoxyethyl)-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine
CID 79663860
N-ethyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine
CID 65328938
N-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-thiadiazol-5-amine
CID 65334797
3,3-dimethyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65328682

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-N-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(oxolan-2-yl)-N-propyl-1,2,4-thiadiazol-5-amine (CID 65330592) is 3-(oxolan-2-yl)-N-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(oxolan-2-yl)-N-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(oxolan-2-yl)-N-propyl-1,2,4-thiadiazol-5-amine is CCCNc1nc(C2CCCO2)ns1.
What is the InChIKey of 3-(oxolan-2-yl)-N-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is WOCORNWBHKWSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-2-5-10-9-11-8(12-14-9)7-4-3-6-13-7/h7H,2-6H2,1H3,(H,10,11,12).
What are the key properties of 3-(oxolan-2-yl)-N-propyl-1,2,4-thiadiazol-5-amine?
3-(oxolan-2-yl)-N-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 213.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-N-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65330592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).