5-N-[(4-methylthiophen-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine

C8H10N4S2 — CID 130718284

IUPAC5-N-[(4-methylthiophen-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine
SMILESCc1csc(CNc2nc(N)ns2)c1
InChIInChI=1S/C8H10N4S2/c1-5-2-6(13-4-5)3-10-8-11-7(9)12-14-8/h2,4H,3H2,1H3,(H3,9,10,11,12)
InChIKeyJZBOTGQAPNKYCL-UHFFFAOYSA-N
MW226.33 g/mol
LogP2.10
Rot. Bonds3

About 5-N-[(4-methylthiophen-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine

5-N-[(4-methylthiophen-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine (PubChem CID 130718284) has the molecular formula C8H10N4S2 and a molecular weight of 226.33 g/mol. Its IUPAC name is 5-N-[(4-methylthiophen-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(4-methylthiophen-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine
PubChem CID130718284
Molecular FormulaC8H10N4S2
Molecular Weight226.33 g/mol
Exact Mass226.03
IUPAC Name5-N-[(4-methylthiophen-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine
SMILESCc1csc(CNc2nc(N)ns2)c1
InChIInChI=1S/C8H10N4S2/c1-5-2-6(13-4-5)3-10-8-11-7(9)12-14-8/h2,4H,3H2,1H3,(H3,9,10,11,12)
InChIKeyJZBOTGQAPNKYCL-UHFFFAOYSA-N
XLogP2.10
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(4-methylthiophen-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-[(4-methylthiophen-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine (CID 130718284) is 5-N-[(4-methylthiophen-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(4-methylthiophen-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-[(4-methylthiophen-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine is Cc1csc(CNc2nc(N)ns2)c1.
What is the InChIKey of 5-N-[(4-methylthiophen-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is JZBOTGQAPNKYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S2/c1-5-2-6(13-4-5)3-10-8-11-7(9)12-14-8/h2,4H,3H2,1H3,(H3,9,10,11,12).
What are the key properties of 5-N-[(4-methylthiophen-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine?
5-N-[(4-methylthiophen-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 226.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(4-methylthiophen-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 130718284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).