4-[(2-methyl-1,3-thiazol-4-yl)methylamino]cinnoline-3-carbonitrile

C14H11N5S — CID 64900052

IUPAC4-[(2-methyl-1,3-thiazol-4-yl)methylamino]cinnoline-3-carbonitrile
SMILESCc1nc(CNc2c(C#N)nnc3ccccc23)cs1
InChIInChI=1S/C14H11N5S/c1-9-17-10(8-20-9)7-16-14-11-4-2-3-5-12(11)18-19-13(14)6-15/h2-5,8H,7H2,1H3,(H,16,18)
InChIKeySNNUSQPEHFOUJR-UHFFFAOYSA-N
MW281.34 g/mol
LogP2.88
Rot. Bonds3

About 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]cinnoline-3-carbonitrile

4-[(2-methyl-1,3-thiazol-4-yl)methylamino]cinnoline-3-carbonitrile (PubChem CID 64900052) has the molecular formula C14H11N5S and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-[(2-methyl-1,3-thiazol-4-yl)methylamino]cinnoline-3-carbonitrile
PubChem CID64900052
Molecular FormulaC14H11N5S
Molecular Weight281.34 g/mol
Exact Mass281.07
IUPAC Name4-[(2-methyl-1,3-thiazol-4-yl)methylamino]cinnoline-3-carbonitrile
SMILESCc1nc(CNc2c(C#N)nnc3ccccc23)cs1
InChIInChI=1S/C14H11N5S/c1-9-17-10(8-20-9)7-16-14-11-4-2-3-5-12(11)18-19-13(14)6-15/h2-5,8H,7H2,1H3,(H,16,18)
InChIKeySNNUSQPEHFOUJR-UHFFFAOYSA-N
XLogP2.88
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]cinnoline-3-carbonitrile?
The IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]cinnoline-3-carbonitrile (CID 64900052) is 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]cinnoline-3-carbonitrile.
What is the SMILES notation for 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]cinnoline-3-carbonitrile?
The canonical SMILES for 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]cinnoline-3-carbonitrile is Cc1nc(CNc2c(C#N)nnc3ccccc23)cs1.
What is the InChIKey of 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]cinnoline-3-carbonitrile?
The InChIKey is SNNUSQPEHFOUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5S/c1-9-17-10(8-20-9)7-16-14-11-4-2-3-5-12(11)18-19-13(14)6-15/h2-5,8H,7H2,1H3,(H,16,18).
What are the key properties of 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]cinnoline-3-carbonitrile?
4-[(2-methyl-1,3-thiazol-4-yl)methylamino]cinnoline-3-carbonitrile has a molecular weight of 281.34 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]cinnoline-3-carbonitrile is sourced from PubChem (CID 64900052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).