5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile

C7H5N5S — CID 57423273

IUPAC5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2nccs2)c1N
InChIInChI=1S/C7H5N5S/c8-3-5-4-11-12(6(5)9)7-10-1-2-13-7/h1-2,4H,9H2
InChIKeyQWTWCDPUVIRZNS-UHFFFAOYSA-N
MW191.22 g/mol
LogP0.78
Rot. Bonds1

About 5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile

5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile (PubChem CID 57423273) has the molecular formula C7H5N5S and a molecular weight of 191.22 g/mol. Its IUPAC name is 5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile
PubChem CID57423273
Molecular FormulaC7H5N5S
Molecular Weight191.22 g/mol
Exact Mass191.03
IUPAC Name5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2nccs2)c1N
InChIInChI=1S/C7H5N5S/c8-3-5-4-11-12(6(5)9)7-10-1-2-13-7/h1-2,4H,9H2
InChIKeyQWTWCDPUVIRZNS-UHFFFAOYSA-N
XLogP0.78
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile (CID 57423273) is 5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile is N#Cc1cnn(-c2nccs2)c1N.
What is the InChIKey of 5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile?
The InChIKey is QWTWCDPUVIRZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5S/c8-3-5-4-11-12(6(5)9)7-10-1-2-13-7/h1-2,4H,9H2.
What are the key properties of 5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile?
5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile has a molecular weight of 191.22 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 57423273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).