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

C7H11N3OS — CID 65330540

IUPACN-methyl-3-(oxolan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(C2CCCO2)ns1
InChIInChI=1S/C7H11N3OS/c1-8-7-9-6(10-12-7)5-3-2-4-11-5/h5H,2-4H2,1H3,(H,8,9,10)
InChIKeyQPQQODDOEMECFH-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.43
Rot. Bonds2

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

N-methyl-3-(oxolan-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65330540) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is N-methyl-3-(oxolan-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-3-(oxolan-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65330540
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC NameN-methyl-3-(oxolan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(C2CCCO2)ns1
InChIInChI=1S/C7H11N3OS/c1-8-7-9-6(10-12-7)5-3-2-4-11-5/h5H,2-4H2,1H3,(H,8,9,10)
InChIKeyQPQQODDOEMECFH-UHFFFAOYSA-N
XLogP1.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(oxolan-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-methyl-3-(oxolan-2-yl)-1,2,4-thiadiazol-5-amine (CID 65330540) is N-methyl-3-(oxolan-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-methyl-3-(oxolan-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-methyl-3-(oxolan-2-yl)-1,2,4-thiadiazol-5-amine is CNc1nc(C2CCCO2)ns1.
What is the InChIKey of N-methyl-3-(oxolan-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is QPQQODDOEMECFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-8-7-9-6(10-12-7)5-3-2-4-11-5/h5H,2-4H2,1H3,(H,8,9,10).
What are the key properties of N-methyl-3-(oxolan-2-yl)-1,2,4-thiadiazol-5-amine?
N-methyl-3-(oxolan-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 185.25 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(oxolan-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65330540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).