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

C7H9N5S2 — CID 1383638

IUPAC5-[(2-amino-1,3-thiazol-4-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(Cc2csc(N)n2)s1
InChIInChI=1S/C7H9N5S2/c1-9-7-12-11-5(14-7)2-4-3-13-6(8)10-4/h3H,2H2,1H3,(H2,8,10)(H,9,12)
InChIKeyCBUXSKTVGZWMCK-UHFFFAOYSA-N
MW227.32 g/mol
LogP1.21
Rot. Bonds3

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

5-[(2-amino-1,3-thiazol-4-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 1383638) has the molecular formula C7H9N5S2 and a molecular weight of 227.32 g/mol. Its IUPAC name is 5-[(2-amino-1,3-thiazol-4-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-amino-1,3-thiazol-4-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID1383638
Molecular FormulaC7H9N5S2
Molecular Weight227.32 g/mol
Exact Mass227.03
IUPAC Name5-[(2-amino-1,3-thiazol-4-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(Cc2csc(N)n2)s1
InChIInChI=1S/C7H9N5S2/c1-9-7-12-11-5(14-7)2-4-3-13-6(8)10-4/h3H,2H2,1H3,(H2,8,10)(H,9,12)
InChIKeyCBUXSKTVGZWMCK-UHFFFAOYSA-N
XLogP1.21
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-1,3-thiazol-4-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(2-amino-1,3-thiazol-4-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 1383638) is 5-[(2-amino-1,3-thiazol-4-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(2-amino-1,3-thiazol-4-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(2-amino-1,3-thiazol-4-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(Cc2csc(N)n2)s1.
What is the InChIKey of 5-[(2-amino-1,3-thiazol-4-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is CBUXSKTVGZWMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S2/c1-9-7-12-11-5(14-7)2-4-3-13-6(8)10-4/h3H,2H2,1H3,(H2,8,10)(H,9,12).
What are the key properties of 5-[(2-amino-1,3-thiazol-4-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[(2-amino-1,3-thiazol-4-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 227.32 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-1,3-thiazol-4-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 1383638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).