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

C7H5N3O2S — CID 44613613

IUPAC2-methyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine
SMILESCc1nc2cc([N+](=O)[O-])cnc2s1
InChIInChI=1S/C7H5N3O2S/c1-4-9-6-2-5(10(11)12)3-8-7(6)13-4/h2-3H,1H3
InChIKeyRIWUNNUSWKGWQR-UHFFFAOYSA-N
MW195.20 g/mol
LogP1.91
Rot. Bonds1

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

2-methyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 44613613) has the molecular formula C7H5N3O2S and a molecular weight of 195.20 g/mol. Its IUPAC name is 2-methyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-methyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine
PubChem CID44613613
Molecular FormulaC7H5N3O2S
Molecular Weight195.20 g/mol
Exact Mass195.01
IUPAC Name2-methyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine
SMILESCc1nc2cc([N+](=O)[O-])cnc2s1
InChIInChI=1S/C7H5N3O2S/c1-4-9-6-2-5(10(11)12)3-8-7(6)13-4/h2-3H,1H3
InChIKeyRIWUNNUSWKGWQR-UHFFFAOYSA-N
XLogP1.91
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 51.91
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

2,7-dimethyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine
CID 145450780
6-isocyanato-2-methyl-[1,3]thiazolo[5,4-b]pyridine
CID 22446631
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methyl-5-nitropyridin-2-amine
CID 62475344
6-bromo-8-methyl-3-nitroquinoline
CID 119085199
2-chloro-7-nitro-1,5-naphthyridine
CID 163817652
2-methyl-7-nitro-1H-pyrrolo[2,3-g]quinoline
CID 12524049
2-methoxy-6-nitro-[1,3]thiazolo[4,5-b]pyridine
CID 76850301
(2,4-dimethyl-1,3-thiazol-5-yl)-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 75517416
5-methyl-3-nitroquinoline
CID 119082281
azane;2,4-dimethyl-6-nitro-1,3-benzothiazole
CID 154945938
13-nitro-17-thia-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 10858874
3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-nitropyridin-2-amine
CID 55081127

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-methyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine (CID 44613613) is 2-methyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-methyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-methyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine is Cc1nc2cc([N+](=O)[O-])cnc2s1.
What is the InChIKey of 2-methyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is RIWUNNUSWKGWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2S/c1-4-9-6-2-5(10(11)12)3-8-7(6)13-4/h2-3H,1H3.
What are the key properties of 2-methyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine?
2-methyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 195.20 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 44613613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).