5,6-dichloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

C15H8Cl2N4O3S — CID 8748712

IUPAC5,6-dichloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C15H8Cl2N4O3S/c16-11-5-9(6-18-13(11)17)14(22)20-15-19-12(7-25-15)8-2-1-3-10(4-8)21(23)24/h1-7H,(H,19,20,22)
InChIKeyAGSWZMZARUKILF-UHFFFAOYSA-N
MW395.23 g/mol
LogP4.67
Rot. Bonds4

About 5,6-dichloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

5,6-dichloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 8748712) has the molecular formula C15H8Cl2N4O3S and a molecular weight of 395.23 g/mol. Its IUPAC name is 5,6-dichloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
PubChem CID8748712
Molecular FormulaC15H8Cl2N4O3S
Molecular Weight395.23 g/mol
Exact Mass393.97
IUPAC Name5,6-dichloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C15H8Cl2N4O3S/c16-11-5-9(6-18-13(11)17)14(22)20-15-19-12(7-25-15)8-2-1-3-10(4-8)21(23)24/h1-7H,(H,19,20,22)
InChIKeyAGSWZMZARUKILF-UHFFFAOYSA-N
XLogP4.67
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.23
LogP ≤ 54.67
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

4-tert-butyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 19181134
4-ethylsulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 7295253
3-(2,4-dichlorophenyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 3638700
3-bromo-4-ethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 2233229
2-methyl-5-nitro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 60594278
(2S)-2-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide
CID 2384514
N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
CID 16804300
1-N,3-N-bis[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide
CID 3602567
3-chloro-4-ethoxy-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide
CID 2282880
2-nitro-6-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid
CID 3110581
5-methyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 1247348
3-(4-chloro-3-nitrophenyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 3521087

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 8748712) is 5,6-dichloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is AGSWZMZARUKILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N4O3S/c16-11-5-9(6-18-13(11)17)14(22)20-15-19-12(7-25-15)8-2-1-3-10(4-8)21(23)24/h1-7H,(H,19,20,22).
What are the key properties of 5,6-dichloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
5,6-dichloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 395.23 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 8748712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).