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

C8H13N3OS — CID 103988242

IUPACN-methyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(CC2CCOC2)ns1
InChIInChI=1S/C8H13N3OS/c1-9-8-10-7(11-13-8)4-6-2-3-12-5-6/h6H,2-5H2,1H3,(H,9,10,11)
InChIKeyUVMMOHIMCLUFJM-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.16
Rot. Bonds3

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

N-methyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 103988242) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is N-methyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID103988242
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC NameN-methyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(CC2CCOC2)ns1
InChIInChI=1S/C8H13N3OS/c1-9-8-10-7(11-13-8)4-6-2-3-12-5-6/h6H,2-5H2,1H3,(H,9,10,11)
InChIKeyUVMMOHIMCLUFJM-UHFFFAOYSA-N
XLogP1.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(oxolan-3-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 114131218
3-methyl-N-[(oxolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 65267510
3-methyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65268265
N-methyl-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65269136
3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65270906
N-(oxolan-2-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65271604
N-(oxan-3-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65271645
3-ethyl-N-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65271660
N-(oxan-3-ylmethyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 65271702
3-ethyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65271703
N-(oxolan-3-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65271764
N-(oxolan-3-ylmethyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 65271766

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-methyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 103988242) is N-methyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-methyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-methyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine is CNc1nc(CC2CCOC2)ns1.
What is the InChIKey of N-methyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is UVMMOHIMCLUFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-9-8-10-7(11-13-8)4-6-2-3-12-5-6/h6H,2-5H2,1H3,(H,9,10,11).
What are the key properties of N-methyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
N-methyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 199.28 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103988242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).