4-[(5-nitroindazol-1-yl)methyl]-1,3-thiazole

C11H8N4O2S — CID 68618758

IUPAC4-[(5-nitroindazol-1-yl)methyl]-1,3-thiazole
SMILESO=[N+]([O-])c1ccc2c(cnn2Cc2cscn2)c1
InChIInChI=1S/C11H8N4O2S/c16-15(17)10-1-2-11-8(3-10)4-13-14(11)5-9-6-18-7-12-9/h1-4,6-7H,5H2
InChIKeyKASJFEYCYQTEEC-UHFFFAOYSA-N
MW260.28 g/mol
LogP2.45
Rot. Bonds3

About 4-[(5-nitroindazol-1-yl)methyl]-1,3-thiazole

4-[(5-nitroindazol-1-yl)methyl]-1,3-thiazole (PubChem CID 68618758) has the molecular formula C11H8N4O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 4-[(5-nitroindazol-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(5-nitroindazol-1-yl)methyl]-1,3-thiazole
PubChem CID68618758
Molecular FormulaC11H8N4O2S
Molecular Weight260.28 g/mol
Exact Mass260.04
IUPAC Name4-[(5-nitroindazol-1-yl)methyl]-1,3-thiazole
SMILESO=[N+]([O-])c1ccc2c(cnn2Cc2cscn2)c1
InChIInChI=1S/C11H8N4O2S/c16-15(17)10-1-2-11-8(3-10)4-13-14(11)5-9-6-18-7-12-9/h1-4,6-7H,5H2
InChIKeyKASJFEYCYQTEEC-UHFFFAOYSA-N
XLogP2.45
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

1-[(6-fluoro-3-pyridinyl)methyl]-5-nitroindazole
CID 68619624
2-amino-2-methyl-3-(5-nitroindazol-1-yl)propanenitrile
CID 69339825
1-[(2R)-2-methoxypropyl]-5-nitroindazole
CID 141387350
4-[(6-nitroindazol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664469
1-[(4-chloro-2-pyridinyl)methyl]-6-nitroindazole
CID 79246153
6-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine
CID 79233120
5-methoxy-1-[(3-nitrophenyl)methyl]indazole
CID 15429052
1-[(2-chloro-5-nitrophenyl)methyl]indazole
CID 62140370
4-(4-iodophenyl)-3-[(5-nitroindazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione
CID 139214183
N-[3-(5-nitroindazol-1-yl)propyl]pyridin-2-amine
CID 10518107
1-tert-butyl-5-nitroindazole
CID 15147634
1-[(4-methylsulfonylpiperazin-1-yl)methyl]-5-nitroindazole
CID 35956497

Frequently Asked Questions

What is the IUPAC name of 4-[(5-nitroindazol-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-[(5-nitroindazol-1-yl)methyl]-1,3-thiazole (CID 68618758) is 4-[(5-nitroindazol-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-[(5-nitroindazol-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-[(5-nitroindazol-1-yl)methyl]-1,3-thiazole is O=[N+]([O-])c1ccc2c(cnn2Cc2cscn2)c1.
What is the InChIKey of 4-[(5-nitroindazol-1-yl)methyl]-1,3-thiazole?
The InChIKey is KASJFEYCYQTEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2S/c16-15(17)10-1-2-11-8(3-10)4-13-14(11)5-9-6-18-7-12-9/h1-4,6-7H,5H2.
What are the key properties of 4-[(5-nitroindazol-1-yl)methyl]-1,3-thiazole?
4-[(5-nitroindazol-1-yl)methyl]-1,3-thiazole has a molecular weight of 260.28 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-nitroindazol-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 68618758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).