(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)methanamine

C7H7N3S2 — CID 64983001

IUPAC(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)methanamine
SMILESNCc1nnc(-c2cccs2)s1
InChIInChI=1S/C7H7N3S2/c8-4-6-9-10-7(12-6)5-2-1-3-11-5/h1-3H,4,8H2
InChIKeyXCCXWYUJZAPWCA-UHFFFAOYSA-N
MW197.29 g/mol
LogP1.73
Rot. Bonds2

About (5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)methanamine

(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)methanamine (PubChem CID 64983001) has the molecular formula C7H7N3S2 and a molecular weight of 197.29 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)methanamine
PubChem CID64983001
Molecular FormulaC7H7N3S2
Molecular Weight197.29 g/mol
Exact Mass197.01
IUPAC Name(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)methanamine
SMILESNCc1nnc(-c2cccs2)s1
InChIInChI=1S/C7H7N3S2/c8-4-6-9-10-7(12-6)5-2-1-3-11-5/h1-3H,4,8H2
InChIKeyXCCXWYUJZAPWCA-UHFFFAOYSA-N
XLogP1.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)methanamine?
The IUPAC name of (5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)methanamine (CID 64983001) is (5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)methanamine.
What is the SMILES notation for (5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)methanamine?
The canonical SMILES for (5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)methanamine is NCc1nnc(-c2cccs2)s1.
What is the InChIKey of (5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)methanamine?
The InChIKey is XCCXWYUJZAPWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S2/c8-4-6-9-10-7(12-6)5-2-1-3-11-5/h1-3H,4,8H2.
What are the key properties of (5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)methanamine?
(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)methanamine has a molecular weight of 197.29 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)methanamine is sourced from PubChem (CID 64983001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).