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

C9H15N3OS — CID 80680723

IUPACN-methyl-3-(2-methyloxan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(C2(C)CCCCO2)ns1
InChIInChI=1S/C9H15N3OS/c1-9(5-3-4-6-13-9)7-11-8(10-2)14-12-7/h3-6H2,1-2H3,(H,10,11,12)
InChIKeyDUJWFDYLWBDOLS-UHFFFAOYSA-N
MW213.31 g/mol
LogP2.00
Rot. Bonds2

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

N-methyl-3-(2-methyloxan-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 80680723) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-methyl-3-(2-methyloxan-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-3-(2-methyloxan-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID80680723
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-methyl-3-(2-methyloxan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(C2(C)CCCCO2)ns1
InChIInChI=1S/C9H15N3OS/c1-9(5-3-4-6-13-9)7-11-8(10-2)14-12-7/h3-6H2,1-2H3,(H,10,11,12)
InChIKeyDUJWFDYLWBDOLS-UHFFFAOYSA-N
XLogP2.00
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methyloxan-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-methyl-3-(2-methyloxan-2-yl)-1,2,4-thiadiazol-5-amine (CID 80680723) is N-methyl-3-(2-methyloxan-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-methyl-3-(2-methyloxan-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-methyl-3-(2-methyloxan-2-yl)-1,2,4-thiadiazol-5-amine is CNc1nc(C2(C)CCCCO2)ns1.
What is the InChIKey of N-methyl-3-(2-methyloxan-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is DUJWFDYLWBDOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-9(5-3-4-6-13-9)7-11-8(10-2)14-12-7/h3-6H2,1-2H3,(H,10,11,12).
What are the key properties of N-methyl-3-(2-methyloxan-2-yl)-1,2,4-thiadiazol-5-amine?
N-methyl-3-(2-methyloxan-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 213.31 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methyloxan-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 80680723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).