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

C10H9N5S — CID 103469216

IUPAC3-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carbonitrile
SMILESN#Cc1nc(NCc2cncs2)ccc1N
InChIInChI=1S/C10H9N5S/c11-3-9-8(12)1-2-10(15-9)14-5-7-4-13-6-16-7/h1-2,4,6H,5,12H2,(H,14,15)
InChIKeyLEEIMGPMWAJVIJ-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.60
Rot. Bonds3

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

3-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carbonitrile (PubChem CID 103469216) has the molecular formula C10H9N5S and a molecular weight of 231.28 g/mol. Its IUPAC name is 3-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carbonitrile
PubChem CID103469216
Molecular FormulaC10H9N5S
Molecular Weight231.28 g/mol
Exact Mass231.06
IUPAC Name3-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carbonitrile
SMILESN#Cc1nc(NCc2cncs2)ccc1N
InChIInChI=1S/C10H9N5S/c11-3-9-8(12)1-2-10(15-9)14-5-7-4-13-6-16-7/h1-2,4,6H,5,12H2,(H,14,15)
InChIKeyLEEIMGPMWAJVIJ-UHFFFAOYSA-N
XLogP1.60
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-6-(2-thiophen-2-ylethylamino)pyridine-2-carbonitrile
CID 103467331
3-amino-6-(2-hydroxyethylamino)pyridine-2-carbonitrile
CID 103467344
3-amino-6-(2,2-difluoroethylamino)pyridine-2-carbonitrile
CID 103468887
3-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carbonitrile
CID 104577496
3-amino-6-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 107231916
3-amino-6-[(2,4-difluorophenyl)methylamino]pyridine-2-carbonitrile
CID 103468207
3-amino-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 103468304
3-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile
CID 106036110
3-amino-6-(2-methylsulfanylpropylamino)pyridine-2-carbonitrile
CID 103469096
3-amino-6-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile
CID 103469214
6-nitro-N-(1,3-thiazol-5-ylmethyl)quinolin-2-amine
CID 104577433
3-amino-6-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
CID 103468594

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carbonitrile (CID 103469216) is 3-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carbonitrile is N#Cc1nc(NCc2cncs2)ccc1N.
What is the InChIKey of 3-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carbonitrile?
The InChIKey is LEEIMGPMWAJVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S/c11-3-9-8(12)1-2-10(15-9)14-5-7-4-13-6-16-7/h1-2,4,6H,5,12H2,(H,14,15).
What are the key properties of 3-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carbonitrile?
3-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carbonitrile has a molecular weight of 231.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 103469216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).