4-methyl-2-(5-nitrofuran-2-yl)-1,3-thiazole

C8H6N2O3S — CID 23996777

IUPAC4-methyl-2-(5-nitrofuran-2-yl)-1,3-thiazole
SMILESCc1csc(-c2ccc([N+](=O)[O-])o2)n1
InChIInChI=1S/C8H6N2O3S/c1-5-4-14-8(9-5)6-2-3-7(13-6)10(11)12/h2-4H,1H3
InChIKeyFZSQUKOAHLWODS-UHFFFAOYSA-N
MW210.21 g/mol
LogP2.62
Rot. Bonds2

About 4-methyl-2-(5-nitrofuran-2-yl)-1,3-thiazole

4-methyl-2-(5-nitrofuran-2-yl)-1,3-thiazole (PubChem CID 23996777) has the molecular formula C8H6N2O3S and a molecular weight of 210.21 g/mol. Its IUPAC name is 4-methyl-2-(5-nitrofuran-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(5-nitrofuran-2-yl)-1,3-thiazole
PubChem CID23996777
Molecular FormulaC8H6N2O3S
Molecular Weight210.21 g/mol
Exact Mass210.01
IUPAC Name4-methyl-2-(5-nitrofuran-2-yl)-1,3-thiazole
SMILESCc1csc(-c2ccc([N+](=O)[O-])o2)n1
InChIInChI=1S/C8H6N2O3S/c1-5-4-14-8(9-5)6-2-3-7(13-6)10(11)12/h2-4H,1H3
InChIKeyFZSQUKOAHLWODS-UHFFFAOYSA-N
XLogP2.62
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 52.62
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-(5-nitrofuran-2-yl)-4-phenyl-1,3-thiazole
CID 138754238
(Z)-N-(azepan-1-yl)-1-[2-(5-nitrofuran-2-yl)-1,3-thiazol-4-yl]methanimine
CID 6444986
N-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide
CID 10753
4-(5-nitrofuran-2-yl)-1,3-thiazole-2-carbohydrazide
CID 56615074
5-methyl-2-(5-nitrofuran-2-yl)-1,3-oxazole-4-carboxylic acid
CID 62235043
1-methyl-5-nitro-2-(5-nitrofuran-2-yl)imidazole
CID 14469464
3-(1-chloroethyl)-5-(5-nitrofuran-2-yl)-1,2,4-oxadiazole
CID 102661051
2-(methylamino)-6-(5-nitrofuran-2-yl)-1,3-thiazin-4-one
CID 23274614
2-methylsulfanyl-5-(5-nitrofuran-2-yl)-1,3-thiazol-4-amine
CID 13327587
5-iodo-4-(5-nitrofuran-2-yl)-1,3-thiazol-2-amine
CID 12007693
2-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-5-(5-nitrofuran-2-yl)-1,3,4-thiadiazole
CID 25058671
2-(5-nitrofuran-2-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 71389044

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(5-nitrofuran-2-yl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-(5-nitrofuran-2-yl)-1,3-thiazole (CID 23996777) is 4-methyl-2-(5-nitrofuran-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(5-nitrofuran-2-yl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(5-nitrofuran-2-yl)-1,3-thiazole is Cc1csc(-c2ccc([N+](=O)[O-])o2)n1.
What is the InChIKey of 4-methyl-2-(5-nitrofuran-2-yl)-1,3-thiazole?
The InChIKey is FZSQUKOAHLWODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3S/c1-5-4-14-8(9-5)6-2-3-7(13-6)10(11)12/h2-4H,1H3.
What are the key properties of 4-methyl-2-(5-nitrofuran-2-yl)-1,3-thiazole?
4-methyl-2-(5-nitrofuran-2-yl)-1,3-thiazole has a molecular weight of 210.21 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(5-nitrofuran-2-yl)-1,3-thiazole is sourced from PubChem (CID 23996777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).