2-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2,5-diamine

C7H8N4S2 — CID 6917216

IUPAC2-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2,5-diamine
SMILESNc1nnc(NCc2cccs2)s1
InChIInChI=1S/C7H8N4S2/c8-6-10-11-7(13-6)9-4-5-2-1-3-12-5/h1-3H,4H2,(H2,8,10)(H,9,11)
InChIKeyKYOKGDLJKFUPBK-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.79
Rot. Bonds3

About 2-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2,5-diamine

2-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2,5-diamine (PubChem CID 6917216) has the molecular formula C7H8N4S2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2,5-diamine
PubChem CID6917216
Molecular FormulaC7H8N4S2
Molecular Weight212.30 g/mol
Exact Mass212.02
IUPAC Name2-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2,5-diamine
SMILESNc1nnc(NCc2cccs2)s1
InChIInChI=1S/C7H8N4S2/c8-6-10-11-7(13-6)9-4-5-2-1-3-12-5/h1-3H,4H2,(H2,8,10)(H,9,11)
InChIKeyKYOKGDLJKFUPBK-UHFFFAOYSA-N
XLogP1.79
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2,5-diamine?
The IUPAC name of 2-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2,5-diamine (CID 6917216) is 2-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2,5-diamine?
The canonical SMILES for 2-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2,5-diamine is Nc1nnc(NCc2cccs2)s1.
What is the InChIKey of 2-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2,5-diamine?
The InChIKey is KYOKGDLJKFUPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S2/c8-6-10-11-7(13-6)9-4-5-2-1-3-12-5/h1-3H,4H2,(H2,8,10)(H,9,11).
What are the key properties of 2-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2,5-diamine?
2-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2,5-diamine has a molecular weight of 212.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2,5-diamine is sourced from PubChem (CID 6917216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).