3-amino-5-anilino-1,2-thiazole-4-carbonitrile

C10H8N4S — CID 14171368

IUPAC3-amino-5-anilino-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(N)nsc1Nc1ccccc1
InChIInChI=1S/C10H8N4S/c11-6-8-9(12)14-15-10(8)13-7-4-2-1-3-5-7/h1-5,13H,(H2,12,14)
InChIKeyWELCWRQPHDYPND-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.34
Rot. Bonds2

About 3-amino-5-anilino-1,2-thiazole-4-carbonitrile

3-amino-5-anilino-1,2-thiazole-4-carbonitrile (PubChem CID 14171368) has the molecular formula C10H8N4S and a molecular weight of 216.27 g/mol. Its IUPAC name is 3-amino-5-anilino-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-anilino-1,2-thiazole-4-carbonitrile
PubChem CID14171368
Molecular FormulaC10H8N4S
Molecular Weight216.27 g/mol
Exact Mass216.05
IUPAC Name3-amino-5-anilino-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(N)nsc1Nc1ccccc1
InChIInChI=1S/C10H8N4S/c11-6-8-9(12)14-15-10(8)13-7-4-2-1-3-5-7/h1-5,13H,(H2,12,14)
InChIKeyWELCWRQPHDYPND-UHFFFAOYSA-N
XLogP2.34
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-anilino-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-anilino-1,2-thiazole-4-carbonitrile (CID 14171368) is 3-amino-5-anilino-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-anilino-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-anilino-1,2-thiazole-4-carbonitrile is N#Cc1c(N)nsc1Nc1ccccc1.
What is the InChIKey of 3-amino-5-anilino-1,2-thiazole-4-carbonitrile?
The InChIKey is WELCWRQPHDYPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S/c11-6-8-9(12)14-15-10(8)13-7-4-2-1-3-5-7/h1-5,13H,(H2,12,14).
What are the key properties of 3-amino-5-anilino-1,2-thiazole-4-carbonitrile?
3-amino-5-anilino-1,2-thiazole-4-carbonitrile has a molecular weight of 216.27 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-anilino-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 14171368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).