2-(pyridin-2-ylamino)-1,3-thiazole-5-carbonitrile

C9H6N4S — CID 5329402

IUPAC2-(pyridin-2-ylamino)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1cnc(Nc2ccccn2)s1
InChIInChI=1S/C9H6N4S/c10-5-7-6-12-9(14-7)13-8-3-1-2-4-11-8/h1-4,6H,(H,11,12,13)
InChIKeyDJUPCZRMXNBXKZ-UHFFFAOYSA-N
MW202.24 g/mol
LogP2.15
Rot. Bonds2

About 2-(pyridin-2-ylamino)-1,3-thiazole-5-carbonitrile

2-(pyridin-2-ylamino)-1,3-thiazole-5-carbonitrile (PubChem CID 5329402) has the molecular formula C9H6N4S and a molecular weight of 202.24 g/mol. Its IUPAC name is 2-(pyridin-2-ylamino)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-(pyridin-2-ylamino)-1,3-thiazole-5-carbonitrile
PubChem CID5329402
Molecular FormulaC9H6N4S
Molecular Weight202.24 g/mol
Exact Mass202.03
IUPAC Name2-(pyridin-2-ylamino)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1cnc(Nc2ccccn2)s1
InChIInChI=1S/C9H6N4S/c10-5-7-6-12-9(14-7)13-8-3-1-2-4-11-8/h1-4,6H,(H,11,12,13)
InChIKeyDJUPCZRMXNBXKZ-UHFFFAOYSA-N
XLogP2.15
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylamino)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-(pyridin-2-ylamino)-1,3-thiazole-5-carbonitrile (CID 5329402) is 2-(pyridin-2-ylamino)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-(pyridin-2-ylamino)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-(pyridin-2-ylamino)-1,3-thiazole-5-carbonitrile is N#Cc1cnc(Nc2ccccn2)s1.
What is the InChIKey of 2-(pyridin-2-ylamino)-1,3-thiazole-5-carbonitrile?
The InChIKey is DJUPCZRMXNBXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4S/c10-5-7-6-12-9(14-7)13-8-3-1-2-4-11-8/h1-4,6H,(H,11,12,13).
What are the key properties of 2-(pyridin-2-ylamino)-1,3-thiazole-5-carbonitrile?
2-(pyridin-2-ylamino)-1,3-thiazole-5-carbonitrile has a molecular weight of 202.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylamino)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 5329402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).