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

C6H7N5S — CID 10943078

IUPAC5-(1-methylimidazol-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCn1ccnc1-c1nnc(N)s1
InChIInChI=1S/C6H7N5S/c1-11-3-2-8-4(11)5-9-10-6(7)12-5/h2-3H,1H3,(H2,7,10)
InChIKeyYXNPTJYRWDNXLI-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.52
Rot. Bonds1

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

5-(1-methylimidazol-2-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 10943078) has the molecular formula C6H7N5S and a molecular weight of 181.22 g/mol. Its IUPAC name is 5-(1-methylimidazol-2-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(1-methylimidazol-2-yl)-1,3,4-thiadiazol-2-amine
PubChem CID10943078
Molecular FormulaC6H7N5S
Molecular Weight181.22 g/mol
Exact Mass181.04
IUPAC Name5-(1-methylimidazol-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCn1ccnc1-c1nnc(N)s1
InChIInChI=1S/C6H7N5S/c1-11-3-2-8-4(11)5-9-10-6(7)12-5/h2-3H,1H3,(H2,7,10)
InChIKeyYXNPTJYRWDNXLI-UHFFFAOYSA-N
XLogP0.52
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylimidazol-2-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(1-methylimidazol-2-yl)-1,3,4-thiadiazol-2-amine (CID 10943078) is 5-(1-methylimidazol-2-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(1-methylimidazol-2-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(1-methylimidazol-2-yl)-1,3,4-thiadiazol-2-amine is Cn1ccnc1-c1nnc(N)s1.
What is the InChIKey of 5-(1-methylimidazol-2-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is YXNPTJYRWDNXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5S/c1-11-3-2-8-4(11)5-9-10-6(7)12-5/h2-3H,1H3,(H2,7,10).
What are the key properties of 5-(1-methylimidazol-2-yl)-1,3,4-thiadiazol-2-amine?
5-(1-methylimidazol-2-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 181.22 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylimidazol-2-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 10943078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).