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

C6H8N4S — CID 14171363

IUPAC3-amino-5-(ethylamino)-1,2-thiazole-4-carbonitrile
SMILESCCNc1snc(N)c1C#N
InChIInChI=1S/C6H8N4S/c1-2-9-6-4(3-7)5(8)10-11-6/h9H,2H2,1H3,(H2,8,10)
InChIKeyBEURHOAFQKHNNQ-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.03
Rot. Bonds2

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

3-amino-5-(ethylamino)-1,2-thiazole-4-carbonitrile (PubChem CID 14171363) has the molecular formula C6H8N4S and a molecular weight of 168.22 g/mol. Its IUPAC name is 3-amino-5-(ethylamino)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(ethylamino)-1,2-thiazole-4-carbonitrile
PubChem CID14171363
Molecular FormulaC6H8N4S
Molecular Weight168.22 g/mol
Exact Mass168.05
IUPAC Name3-amino-5-(ethylamino)-1,2-thiazole-4-carbonitrile
SMILESCCNc1snc(N)c1C#N
InChIInChI=1S/C6H8N4S/c1-2-9-6-4(3-7)5(8)10-11-6/h9H,2H2,1H3,(H2,8,10)
InChIKeyBEURHOAFQKHNNQ-UHFFFAOYSA-N
XLogP1.03
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(ethylamino)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-(ethylamino)-1,2-thiazole-4-carbonitrile (CID 14171363) is 3-amino-5-(ethylamino)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-(ethylamino)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-(ethylamino)-1,2-thiazole-4-carbonitrile is CCNc1snc(N)c1C#N.
What is the InChIKey of 3-amino-5-(ethylamino)-1,2-thiazole-4-carbonitrile?
The InChIKey is BEURHOAFQKHNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4S/c1-2-9-6-4(3-7)5(8)10-11-6/h9H,2H2,1H3,(H2,8,10).
What are the key properties of 3-amino-5-(ethylamino)-1,2-thiazole-4-carbonitrile?
3-amino-5-(ethylamino)-1,2-thiazole-4-carbonitrile has a molecular weight of 168.22 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(ethylamino)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 14171363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).