N-[5-(4,5-dimethoxy-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide

C20H18N6O6S — CID 90527485

IUPACN-[5-(4,5-dimethoxy-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
SMILESCOc1cc(C(=O)N2CCc3nc(NC(=O)c4cnccn4)sc3C2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C20H18N6O6S/c1-31-15-7-11(14(26(29)30)8-16(15)32-2)19(28)25-6-3-12-17(10-25)33-20(23-12)24-18(27)13-9-21-4-5-22-13/h4-5,7-9H,3,6,10H2,1-2H3,(H,23,24,27)
InChIKeyGNXVPBOCOMOHJG-UHFFFAOYSA-N
MW470.47 g/mol
LogP2.31
Rot. Bonds6

About N-[5-(4,5-dimethoxy-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide

N-[5-(4,5-dimethoxy-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide (PubChem CID 90527485) has the molecular formula C20H18N6O6S and a molecular weight of 470.47 g/mol. Its IUPAC name is N-[5-(4,5-dimethoxy-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4,5-dimethoxy-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
PubChem CID90527485
Molecular FormulaC20H18N6O6S
Molecular Weight470.47 g/mol
Exact Mass470.10
IUPAC NameN-[5-(4,5-dimethoxy-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
SMILESCOc1cc(C(=O)N2CCc3nc(NC(=O)c4cnccn4)sc3C2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C20H18N6O6S/c1-31-15-7-11(14(26(29)30)8-16(15)32-2)19(28)25-6-3-12-17(10-25)33-20(23-12)24-18(27)13-9-21-4-5-22-13/h4-5,7-9H,3,6,10H2,1-2H3,(H,23,24,27)
InChIKeyGNXVPBOCOMOHJG-UHFFFAOYSA-N
XLogP2.31
TPSA149.68 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

N-[5-(2,5-dimethylfuran-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527495
N-[5-(3,5-dimethylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527382
N-[5-(2-iodobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527409
N-[5-(5-chloro-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528359
N-propan-2-yl-2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90527695
N-[5-(2-oxochromene-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527476
N-[5-[4-(trifluoromethoxy)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527541
N-[5-(4-phenylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527432
N-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527396
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide
CID 90543648
N-[5-[(4-nitrophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527631
N-[5-(4-nitrophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527708

Frequently Asked Questions

What is the IUPAC name of N-[5-(4,5-dimethoxy-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[5-(4,5-dimethoxy-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide (CID 90527485) is N-[5-(4,5-dimethoxy-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[5-(4,5-dimethoxy-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[5-(4,5-dimethoxy-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide is COc1cc(C(=O)N2CCc3nc(NC(=O)c4cnccn4)sc3C2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of N-[5-(4,5-dimethoxy-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide?
The InChIKey is GNXVPBOCOMOHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O6S/c1-31-15-7-11(14(26(29)30)8-16(15)32-2)19(28)25-6-3-12-17(10-25)33-20(23-12)24-18(27)13-9-21-4-5-22-13/h4-5,7-9H,3,6,10H2,1-2H3,(H,23,24,27).
What are the key properties of N-[5-(4,5-dimethoxy-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide?
N-[5-(4,5-dimethoxy-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide has a molecular weight of 470.47 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4,5-dimethoxy-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 90527485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).