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

C8H13N3S2 — CID 130725580

IUPACN-methyl-N-(thian-3-yl)-1,2,4-thiadiazol-5-amine
SMILESCN(c1ncns1)C1CCCSC1
InChIInChI=1S/C8H13N3S2/c1-11(8-9-6-10-13-8)7-3-2-4-12-5-7/h6-7H,2-5H2,1H3
InChIKeyIJOWIVDOIULHMW-UHFFFAOYSA-N
MW215.35 g/mol
LogP1.87
Rot. Bonds2

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

N-methyl-N-(thian-3-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 130725580) has the molecular formula C8H13N3S2 and a molecular weight of 215.35 g/mol. Its IUPAC name is N-methyl-N-(thian-3-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-N-(thian-3-yl)-1,2,4-thiadiazol-5-amine
PubChem CID130725580
Molecular FormulaC8H13N3S2
Molecular Weight215.35 g/mol
Exact Mass215.06
IUPAC NameN-methyl-N-(thian-3-yl)-1,2,4-thiadiazol-5-amine
SMILESCN(c1ncns1)C1CCCSC1
InChIInChI=1S/C8H13N3S2/c1-11(8-9-6-10-13-8)7-3-2-4-12-5-7/h6-7H,2-5H2,1H3
InChIKeyIJOWIVDOIULHMW-UHFFFAOYSA-N
XLogP1.87
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.35
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(thian-3-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-methyl-N-(thian-3-yl)-1,2,4-thiadiazol-5-amine (CID 130725580) is N-methyl-N-(thian-3-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-methyl-N-(thian-3-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-methyl-N-(thian-3-yl)-1,2,4-thiadiazol-5-amine is CN(c1ncns1)C1CCCSC1.
What is the InChIKey of N-methyl-N-(thian-3-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is IJOWIVDOIULHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S2/c1-11(8-9-6-10-13-8)7-3-2-4-12-5-7/h6-7H,2-5H2,1H3.
What are the key properties of N-methyl-N-(thian-3-yl)-1,2,4-thiadiazol-5-amine?
N-methyl-N-(thian-3-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 215.35 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(thian-3-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 130725580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).