5-(5-methylthiophen-2-yl)-1,3,4-thiadiazol-2-amine

C7H7N3S2 — CID 13142213

IUPAC5-(5-methylthiophen-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(-c2nnc(N)s2)s1
InChIInChI=1S/C7H7N3S2/c1-4-2-3-5(11-4)6-9-10-7(8)12-6/h2-3H,1H3,(H2,8,10)
InChIKeyNCINGWSXKXPUBT-UHFFFAOYSA-N
MW197.29 g/mol
LogP2.16
Rot. Bonds1

About 5-(5-methylthiophen-2-yl)-1,3,4-thiadiazol-2-amine

5-(5-methylthiophen-2-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 13142213) has the molecular formula C7H7N3S2 and a molecular weight of 197.29 g/mol. Its IUPAC name is 5-(5-methylthiophen-2-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(5-methylthiophen-2-yl)-1,3,4-thiadiazol-2-amine
PubChem CID13142213
Molecular FormulaC7H7N3S2
Molecular Weight197.29 g/mol
Exact Mass197.01
IUPAC Name5-(5-methylthiophen-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(-c2nnc(N)s2)s1
InChIInChI=1S/C7H7N3S2/c1-4-2-3-5(11-4)6-9-10-7(8)12-6/h2-3H,1H3,(H2,8,10)
InChIKeyNCINGWSXKXPUBT-UHFFFAOYSA-N
XLogP2.16
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylthiophen-2-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(5-methylthiophen-2-yl)-1,3,4-thiadiazol-2-amine (CID 13142213) is 5-(5-methylthiophen-2-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(5-methylthiophen-2-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(5-methylthiophen-2-yl)-1,3,4-thiadiazol-2-amine is Cc1ccc(-c2nnc(N)s2)s1.
What is the InChIKey of 5-(5-methylthiophen-2-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is NCINGWSXKXPUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S2/c1-4-2-3-5(11-4)6-9-10-7(8)12-6/h2-3H,1H3,(H2,8,10).
What are the key properties of 5-(5-methylthiophen-2-yl)-1,3,4-thiadiazol-2-amine?
5-(5-methylthiophen-2-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 197.29 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylthiophen-2-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 13142213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).