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

C10H7N5O2S — CID 113428816

IUPAC5-nitro-2-(1,3-thiazol-5-ylmethylamino)pyridine-3-carbonitrile
SMILESN#Cc1cc([N+](=O)[O-])cnc1NCc1cncs1
InChIInChI=1S/C10H7N5O2S/c11-2-7-1-8(15(16)17)3-13-10(7)14-5-9-4-12-6-18-9/h1,3-4,6H,5H2,(H,13,14)
InChIKeyHHDNULQZVGECBX-UHFFFAOYSA-N
MW261.27 g/mol
LogP1.93
Rot. Bonds4

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

5-nitro-2-(1,3-thiazol-5-ylmethylamino)pyridine-3-carbonitrile (PubChem CID 113428816) has the molecular formula C10H7N5O2S and a molecular weight of 261.27 g/mol. Its IUPAC name is 5-nitro-2-(1,3-thiazol-5-ylmethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-nitro-2-(1,3-thiazol-5-ylmethylamino)pyridine-3-carbonitrile
PubChem CID113428816
Molecular FormulaC10H7N5O2S
Molecular Weight261.27 g/mol
Exact Mass261.03
IUPAC Name5-nitro-2-(1,3-thiazol-5-ylmethylamino)pyridine-3-carbonitrile
SMILESN#Cc1cc([N+](=O)[O-])cnc1NCc1cncs1
InChIInChI=1S/C10H7N5O2S/c11-2-7-1-8(15(16)17)3-13-10(7)14-5-9-4-12-6-18-9/h1,3-4,6H,5H2,(H,13,14)
InChIKeyHHDNULQZVGECBX-UHFFFAOYSA-N
XLogP1.93
TPSA104.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-cyanophenyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 60964527
5-nitro-2-(pyridin-3-ylmethylamino)pyridine-3-carbonitrile
CID 55021305
2-[(4-chlorophenyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 60678662
2-[(4-hydroxyphenyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 115618350
5-nitro-2-(propylamino)pyridine-3-carbonitrile
CID 25197726
2-[(3-chlorophenyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 60678575
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-5-nitropyridine-3-carbonitrile
CID 62099209
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-5-nitropyridine-3-carbonitrile
CID 78963068
2-[(3-methyl-2-propan-2-ylbutyl)amino]-5-nitropyridine-3-carbonitrile
CID 102913997
2-(2-aminopropylamino)-5-nitropyridine-3-carbonitrile
CID 63732552
2-(2-methylsulfanylethylamino)-5-nitropyridine-3-carbonitrile
CID 60677777
2-[(6-methoxy-3-pyridinyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 60710968

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-(1,3-thiazol-5-ylmethylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-nitro-2-(1,3-thiazol-5-ylmethylamino)pyridine-3-carbonitrile (CID 113428816) is 5-nitro-2-(1,3-thiazol-5-ylmethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-nitro-2-(1,3-thiazol-5-ylmethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-nitro-2-(1,3-thiazol-5-ylmethylamino)pyridine-3-carbonitrile is N#Cc1cc([N+](=O)[O-])cnc1NCc1cncs1.
What is the InChIKey of 5-nitro-2-(1,3-thiazol-5-ylmethylamino)pyridine-3-carbonitrile?
The InChIKey is HHDNULQZVGECBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O2S/c11-2-7-1-8(15(16)17)3-13-10(7)14-5-9-4-12-6-18-9/h1,3-4,6H,5H2,(H,13,14).
What are the key properties of 5-nitro-2-(1,3-thiazol-5-ylmethylamino)pyridine-3-carbonitrile?
5-nitro-2-(1,3-thiazol-5-ylmethylamino)pyridine-3-carbonitrile has a molecular weight of 261.27 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-(1,3-thiazol-5-ylmethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 113428816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).