5-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine

C7H9N5S2 — CID 3340009

IUPAC5-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2sc(N)nc2C)s1
InChIInChI=1S/C7H9N5S2/c1-3-4(13-6(8)10-3)5-11-12-7(9-2)14-5/h1-2H3,(H2,8,10)(H,9,12)
InChIKeyJDULURADVAJATN-UHFFFAOYSA-N
MW227.32 g/mol
LogP1.59
Rot. Bonds2

About 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine

5-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 3340009) has the molecular formula C7H9N5S2 and a molecular weight of 227.32 g/mol. Its IUPAC name is 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID3340009
Molecular FormulaC7H9N5S2
Molecular Weight227.32 g/mol
Exact Mass227.03
IUPAC Name5-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2sc(N)nc2C)s1
InChIInChI=1S/C7H9N5S2/c1-3-4(13-6(8)10-3)5-11-12-7(9-2)14-5/h1-2H3,(H2,8,10)(H,9,12)
InChIKeyJDULURADVAJATN-UHFFFAOYSA-N
XLogP1.59
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine (CID 3340009) is 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(-c2sc(N)nc2C)s1.
What is the InChIKey of 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is JDULURADVAJATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S2/c1-3-4(13-6(8)10-3)5-11-12-7(9-2)14-5/h1-2H3,(H2,8,10)(H,9,12).
What are the key properties of 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine?
5-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 227.32 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 3340009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).