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

C8H13N3S3 — CID 115389228

IUPACN-methyl-3-(3-methyl-1,4-dithian-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(C2SCCSC2C)ns1
InChIInChI=1S/C8H13N3S3/c1-5-6(13-4-3-12-5)7-10-8(9-2)14-11-7/h5-6H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyLGTHDQULTDTLCZ-UHFFFAOYSA-N
MW247.41 g/mol
LogP2.49
Rot. Bonds2

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

N-methyl-3-(3-methyl-1,4-dithian-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 115389228) has the molecular formula C8H13N3S3 and a molecular weight of 247.41 g/mol. Its IUPAC name is N-methyl-3-(3-methyl-1,4-dithian-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-3-(3-methyl-1,4-dithian-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID115389228
Molecular FormulaC8H13N3S3
Molecular Weight247.41 g/mol
Exact Mass247.03
IUPAC NameN-methyl-3-(3-methyl-1,4-dithian-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(C2SCCSC2C)ns1
InChIInChI=1S/C8H13N3S3/c1-5-6(13-4-3-12-5)7-10-8(9-2)14-11-7/h5-6H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyLGTHDQULTDTLCZ-UHFFFAOYSA-N
XLogP2.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 65400592
6-cyclopropyl-5-iodo-N-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine
CID 115388664
N-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65268567
[6-tert-butyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-yl]hydrazine
CID 115388699
N,3-dimethyl-1-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 115389077
5-bromo-4-chloro-2-(3-methyl-1,4-dithian-2-yl)pyrimidine
CID 115385596
N-ethyl-3-(thiolan-2-yl)-1,2,4-thiadiazol-5-amine
CID 80638484
4-cyclohexyl-6-(3-methyl-1,4-dithian-2-yl)-1,3,5-triazin-2-amine
CID 115389198
3-chloro-N-methyl-1,2,4-thiadiazol-5-amine
CID 55287253
N,5-diethyl-6-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine
CID 115388492
2-[3-(3-methyl-1,4-dithian-2-yl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 115388908
5-bromo-6-tert-butyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine
CID 115388594

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methyl-1,4-dithian-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-methyl-3-(3-methyl-1,4-dithian-2-yl)-1,2,4-thiadiazol-5-amine (CID 115389228) is N-methyl-3-(3-methyl-1,4-dithian-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-methyl-3-(3-methyl-1,4-dithian-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-methyl-3-(3-methyl-1,4-dithian-2-yl)-1,2,4-thiadiazol-5-amine is CNc1nc(C2SCCSC2C)ns1.
What is the InChIKey of N-methyl-3-(3-methyl-1,4-dithian-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is LGTHDQULTDTLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S3/c1-5-6(13-4-3-12-5)7-10-8(9-2)14-11-7/h5-6H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of N-methyl-3-(3-methyl-1,4-dithian-2-yl)-1,2,4-thiadiazol-5-amine?
N-methyl-3-(3-methyl-1,4-dithian-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 247.41 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methyl-1,4-dithian-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 115389228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).