3-amino-5-(methylamino)-1,2-thiazole-4-carbonitrile

C5H6N4S — CID 14171361

IUPAC3-amino-5-(methylamino)-1,2-thiazole-4-carbonitrile
SMILESCNc1snc(N)c1C#N
InChIInChI=1S/C5H6N4S/c1-8-5-3(2-6)4(7)9-10-5/h8H,1H3,(H2,7,9)
InChIKeyUBSAZZIAMNXTFP-UHFFFAOYSA-N
MW154.20 g/mol
LogP0.64
Rot. Bonds1

About 3-amino-5-(methylamino)-1,2-thiazole-4-carbonitrile

3-amino-5-(methylamino)-1,2-thiazole-4-carbonitrile (PubChem CID 14171361) has the molecular formula C5H6N4S and a molecular weight of 154.20 g/mol. Its IUPAC name is 3-amino-5-(methylamino)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(methylamino)-1,2-thiazole-4-carbonitrile
PubChem CID14171361
Molecular FormulaC5H6N4S
Molecular Weight154.20 g/mol
Exact Mass154.03
IUPAC Name3-amino-5-(methylamino)-1,2-thiazole-4-carbonitrile
SMILESCNc1snc(N)c1C#N
InChIInChI=1S/C5H6N4S/c1-8-5-3(2-6)4(7)9-10-5/h8H,1H3,(H2,7,9)
InChIKeyUBSAZZIAMNXTFP-UHFFFAOYSA-N
XLogP0.64
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.20
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(methylamino)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-(methylamino)-1,2-thiazole-4-carbonitrile (CID 14171361) is 3-amino-5-(methylamino)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-(methylamino)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-(methylamino)-1,2-thiazole-4-carbonitrile is CNc1snc(N)c1C#N.
What is the InChIKey of 3-amino-5-(methylamino)-1,2-thiazole-4-carbonitrile?
The InChIKey is UBSAZZIAMNXTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4S/c1-8-5-3(2-6)4(7)9-10-5/h8H,1H3,(H2,7,9).
What are the key properties of 3-amino-5-(methylamino)-1,2-thiazole-4-carbonitrile?
3-amino-5-(methylamino)-1,2-thiazole-4-carbonitrile has a molecular weight of 154.20 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(methylamino)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 14171361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).