5-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine

C8H9N3S2 — CID 64982615

IUPAC5-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2ccsc2)s1
InChIInChI=1S/C8H9N3S2/c1-6-10-11-8(13-6)9-4-7-2-3-12-5-7/h2-3,5H,4H2,1H3,(H,9,11)
InChIKeyIPNHFTNBHDPVBX-UHFFFAOYSA-N
MW211.32 g/mol
LogP2.52
Rot. Bonds3

About 5-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine

5-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 64982615) has the molecular formula C8H9N3S2 and a molecular weight of 211.32 g/mol. Its IUPAC name is 5-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID64982615
Molecular FormulaC8H9N3S2
Molecular Weight211.32 g/mol
Exact Mass211.02
IUPAC Name5-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2ccsc2)s1
InChIInChI=1S/C8H9N3S2/c1-6-10-11-8(13-6)9-4-7-2-3-12-5-7/h2-3,5H,4H2,1H3,(H,9,11)
InChIKeyIPNHFTNBHDPVBX-UHFFFAOYSA-N
XLogP2.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 64982615) is 5-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine is Cc1nnc(NCc2ccsc2)s1.
What is the InChIKey of 5-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is IPNHFTNBHDPVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S2/c1-6-10-11-8(13-6)9-4-7-2-3-12-5-7/h2-3,5H,4H2,1H3,(H,9,11).
What are the key properties of 5-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
5-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 211.32 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64982615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).