2-chloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide

C10H7ClN4O3S — CID 104583556

IUPAC2-chloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1cncs1)c1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H7ClN4O3S/c11-9-1-7(8(4-13-9)15(17)18)10(16)14-3-6-2-12-5-19-6/h1-2,4-5H,3H2,(H,14,16)
InChIKeyUIFXSDFQCVJANB-UHFFFAOYSA-N
MW298.71 g/mol
LogP2.03
Rot. Bonds4

About 2-chloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide

2-chloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide (PubChem CID 104583556) has the molecular formula C10H7ClN4O3S and a molecular weight of 298.71 g/mol. Its IUPAC name is 2-chloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide
PubChem CID104583556
Molecular FormulaC10H7ClN4O3S
Molecular Weight298.71 g/mol
Exact Mass297.99
IUPAC Name2-chloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1cncs1)c1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H7ClN4O3S/c11-9-1-7(8(4-13-9)15(17)18)10(16)14-3-6-2-12-5-19-6/h1-2,4-5H,3H2,(H,14,16)
InChIKeyUIFXSDFQCVJANB-UHFFFAOYSA-N
XLogP2.03
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.71
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(4-chlorophenyl)methyl]-5-nitropyridine-4-carboxamide
CID 103730707
2,3-dichloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 107189531
2-chloro-N-(2,2-dimethylpropyl)-5-nitropyridine-4-carboxamide
CID 113250953
2-chloro-N-[(1-methylpyrrol-2-yl)methyl]-5-nitropyridine-4-carboxamide
CID 103734127
2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-nitropyridine-4-carboxamide
CID 103733138
N-butyl-2-chloro-5-nitropyridine-4-carboxamide
CID 103730741
2-chloro-N-[(2S)-2-hydroxypropyl]-5-nitropyridine-4-carboxamide
CID 103885996
2-chloro-5-nitro-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide
CID 113254749
2-chloro-5-nitro-N-pyridin-4-ylpyridine-4-carboxamide
CID 103730811
2-chloro-N-(2-ethoxypropyl)-5-nitropyridine-4-carboxamide
CID 113251137
2-chloro-N-(1,4-dithian-2-ylmethyl)-5-nitropyridine-4-carboxamide
CID 103747300
2-chloro-N-(3-imidazol-1-ylpropyl)-5-nitropyridine-4-carboxamide
CID 103731882

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide (CID 104583556) is 2-chloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide is O=C(NCc1cncs1)c1cc(Cl)ncc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide?
The InChIKey is UIFXSDFQCVJANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O3S/c11-9-1-7(8(4-13-9)15(17)18)10(16)14-3-6-2-12-5-19-6/h1-2,4-5H,3H2,(H,14,16).
What are the key properties of 2-chloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide?
2-chloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide has a molecular weight of 298.71 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 104583556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).