N-(2,4-dinitrophenyl)-1,3-thiazole-4-carboxamide

C10H6N4O5S — CID 63047836

IUPACN-(2,4-dinitrophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cscn1
InChIInChI=1S/C10H6N4O5S/c15-10(8-4-20-5-11-8)12-7-2-1-6(13(16)17)3-9(7)14(18)19/h1-5H,(H,12,15)
InChIKeyLRFKIXZGPRXPLL-UHFFFAOYSA-N
MW294.25 g/mol
LogP2.21
Rot. Bonds4

About N-(2,4-dinitrophenyl)-1,3-thiazole-4-carboxamide

N-(2,4-dinitrophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 63047836) has the molecular formula C10H6N4O5S and a molecular weight of 294.25 g/mol. Its IUPAC name is N-(2,4-dinitrophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dinitrophenyl)-1,3-thiazole-4-carboxamide
PubChem CID63047836
Molecular FormulaC10H6N4O5S
Molecular Weight294.25 g/mol
Exact Mass294.01
IUPAC NameN-(2,4-dinitrophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cscn1
InChIInChI=1S/C10H6N4O5S/c15-10(8-4-20-5-11-8)12-7-2-1-6(13(16)17)3-9(7)14(18)19/h1-5H,(H,12,15)
InChIKeyLRFKIXZGPRXPLL-UHFFFAOYSA-N
XLogP2.21
TPSA128.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 52.21
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

3-nitro-4-(1,3-thiazole-4-carbonylamino)benzoic acid
CID 63021820
N-(2-fluoro-5-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62044834
N-(4-amino-3-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 170986417
6-[(2,4-dinitrophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 102437083
N-(2,6-dimethyl-4-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 71857584
6-chloro-N-(2,4-dinitrophenyl)pyridine-3-carboxamide
CID 22668935
2,4-dinitro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 49430909
(2,4-dinitrophenyl)carbamic acid
CID 154114547
1-N,3-N-bis(2,4-dinitrophenyl)benzene-1,3-dicarboxamide
CID 628714
N-(2,4-dinitrophenyl)-3-nitrobenzamide
CID 3427628
4-chloro-N-(4-chloro-2-nitrophenyl)pyridine-2-carboxamide
CID 60705527
1-(2,4-dinitrophenyl)-3-nitrourea
CID 12548690

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dinitrophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,4-dinitrophenyl)-1,3-thiazole-4-carboxamide (CID 63047836) is N-(2,4-dinitrophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,4-dinitrophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,4-dinitrophenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cscn1.
What is the InChIKey of N-(2,4-dinitrophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LRFKIXZGPRXPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O5S/c15-10(8-4-20-5-11-8)12-7-2-1-6(13(16)17)3-9(7)14(18)19/h1-5H,(H,12,15).
What are the key properties of N-(2,4-dinitrophenyl)-1,3-thiazole-4-carboxamide?
N-(2,4-dinitrophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 294.25 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dinitrophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63047836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).