6-amino-5-(1,3-thiazol-2-yl)pyridine-3-carbonitrile

C9H6N4S — CID 175647247

IUPAC6-amino-5-(1,3-thiazol-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(N)c(-c2nccs2)c1
InChIInChI=1S/C9H6N4S/c10-4-6-3-7(8(11)13-5-6)9-12-1-2-14-9/h1-3,5H,(H2,11,13)
InChIKeyBVTUATGMESBYKU-UHFFFAOYSA-N
MW202.24 g/mol
LogP1.66
Rot. Bonds1

About 6-amino-5-(1,3-thiazol-2-yl)pyridine-3-carbonitrile

6-amino-5-(1,3-thiazol-2-yl)pyridine-3-carbonitrile (PubChem CID 175647247) has the molecular formula C9H6N4S and a molecular weight of 202.24 g/mol. Its IUPAC name is 6-amino-5-(1,3-thiazol-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-5-(1,3-thiazol-2-yl)pyridine-3-carbonitrile
PubChem CID175647247
Molecular FormulaC9H6N4S
Molecular Weight202.24 g/mol
Exact Mass202.03
IUPAC Name6-amino-5-(1,3-thiazol-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(N)c(-c2nccs2)c1
InChIInChI=1S/C9H6N4S/c10-4-6-3-7(8(11)13-5-6)9-12-1-2-14-9/h1-3,5H,(H2,11,13)
InChIKeyBVTUATGMESBYKU-UHFFFAOYSA-N
XLogP1.66
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(1,3-thiazol-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-amino-5-(1,3-thiazol-2-yl)pyridine-3-carbonitrile (CID 175647247) is 6-amino-5-(1,3-thiazol-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-5-(1,3-thiazol-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-amino-5-(1,3-thiazol-2-yl)pyridine-3-carbonitrile is N#Cc1cnc(N)c(-c2nccs2)c1.
What is the InChIKey of 6-amino-5-(1,3-thiazol-2-yl)pyridine-3-carbonitrile?
The InChIKey is BVTUATGMESBYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4S/c10-4-6-3-7(8(11)13-5-6)9-12-1-2-14-9/h1-3,5H,(H2,11,13).
What are the key properties of 6-amino-5-(1,3-thiazol-2-yl)pyridine-3-carbonitrile?
6-amino-5-(1,3-thiazol-2-yl)pyridine-3-carbonitrile has a molecular weight of 202.24 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(1,3-thiazol-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 175647247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).