2,7-dimethyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine

C8H7N3O2S — CID 145450780

IUPAC2,7-dimethyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine
SMILESCc1nc2c(C)c([N+](=O)[O-])cnc2s1
InChIInChI=1S/C8H7N3O2S/c1-4-6(11(12)13)3-9-8-7(4)10-5(2)14-8/h3H,1-2H3
InChIKeyIDDMKBPSUMWWSU-UHFFFAOYSA-N
MW209.23 g/mol
LogP2.22
Rot. Bonds1

About 2,7-dimethyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine

2,7-dimethyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 145450780) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is 2,7-dimethyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2,7-dimethyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine
PubChem CID145450780
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Name2,7-dimethyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine
SMILESCc1nc2c(C)c([N+](=O)[O-])cnc2s1
InChIInChI=1S/C8H7N3O2S/c1-4-6(11(12)13)3-9-8-7(4)10-5(2)14-8/h3H,1-2H3
InChIKeyIDDMKBPSUMWWSU-UHFFFAOYSA-N
XLogP2.22
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-methyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine
CID 44613613
2-bromo-4-methyl-5-nitro-1,3-benzothiazole
CID 54200701
6-chloro-2,4,7-trimethyl-5-nitro-1,3-benzothiazole
CID 158602969
2-chloro-3-fluoro-4-methyl-5-nitropyridine
CID 151225607
8-bromo-4-methyl-3-nitroquinoline
CID 131886009
2,5-dimethyl-3-nitropyridine
CID 12626468
2-bromo-3-(difluoromethyl)-4-methyl-5-nitropyridine
CID 118998930
azane;2,4-dimethyl-6-nitro-1,3-benzothiazole
CID 154945938
3-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)oxymethyl]pentan-3-amine
CID 104508436
4-methyl-5-nitropyridin-3-ol
CID 131057783
(2-methyl-5-nitro-4-pyridinyl)phosphane
CID 143256798
2-chloro-5-methyl-3-nitropyridine
CID 139082293

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2,7-dimethyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine (CID 145450780) is 2,7-dimethyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2,7-dimethyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2,7-dimethyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine is Cc1nc2c(C)c([N+](=O)[O-])cnc2s1.
What is the InChIKey of 2,7-dimethyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is IDDMKBPSUMWWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c1-4-6(11(12)13)3-9-8-7(4)10-5(2)14-8/h3H,1-2H3.
What are the key properties of 2,7-dimethyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine?
2,7-dimethyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 209.23 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 145450780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).