5-methylsulfanyl-3-(2-nitrophenyl)-1,2-thiazole

C10H8N2O2S2 — CID 21271831

IUPAC5-methylsulfanyl-3-(2-nitrophenyl)-1,2-thiazole
SMILESCSc1cc(-c2ccccc2[N+](=O)[O-])ns1
InChIInChI=1S/C10H8N2O2S2/c1-15-10-6-8(11-16-10)7-4-2-3-5-9(7)12(13)14/h2-6H,1H3
InChIKeyRXNCMBJKYMPCDG-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.44
Rot. Bonds3

About 5-methylsulfanyl-3-(2-nitrophenyl)-1,2-thiazole

5-methylsulfanyl-3-(2-nitrophenyl)-1,2-thiazole (PubChem CID 21271831) has the molecular formula C10H8N2O2S2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-methylsulfanyl-3-(2-nitrophenyl)-1,2-thiazole.

Molecular Properties

Compound Name5-methylsulfanyl-3-(2-nitrophenyl)-1,2-thiazole
PubChem CID21271831
Molecular FormulaC10H8N2O2S2
Molecular Weight252.32 g/mol
Exact Mass252.00
IUPAC Name5-methylsulfanyl-3-(2-nitrophenyl)-1,2-thiazole
SMILESCSc1cc(-c2ccccc2[N+](=O)[O-])ns1
InChIInChI=1S/C10H8N2O2S2/c1-15-10-6-8(11-16-10)7-4-2-3-5-9(7)12(13)14/h2-6H,1H3
InChIKeyRXNCMBJKYMPCDG-UHFFFAOYSA-N
XLogP3.44
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.44
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

3-methylsulfanyl-5-(2-nitrophenyl)-1,2,4-thiadiazole
CID 21271843
3-methylsulfanyl-5-(2-nitrophenyl)-1H-pyrazole
CID 21271858
3-methylsulfanyl-4-(2-nitrophenyl)-1,2,5-oxadiazole
CID 21271859
4-methylsulfanyl-6-(2-nitrophenyl)-1,3,5-triazin-2-amine
CID 78909338
1,3-dimethyl-5-(2-nitrophenyl)benzene
CID 102025373
1,3-difluoro-5-(2-nitrophenyl)benzene
CID 134598355
5-(2-nitrophenyl)-1,2,4-thiadiazole
CID 21271844
1-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]ethanol
CID 63379311
1-ethyl-3-(2-nitrophenyl)pyrazole
CID 22493260
2-(2-nitrophenyl)-1-benzothiophene
CID 14912770
N-methyl-1-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]methanamine
CID 62544163
6-chloro-4-(2-fluorophenyl)-2-(2-nitrophenyl)quinoline;hydrochloride
CID 75401799

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-3-(2-nitrophenyl)-1,2-thiazole?
The IUPAC name of 5-methylsulfanyl-3-(2-nitrophenyl)-1,2-thiazole (CID 21271831) is 5-methylsulfanyl-3-(2-nitrophenyl)-1,2-thiazole.
What is the SMILES notation for 5-methylsulfanyl-3-(2-nitrophenyl)-1,2-thiazole?
The canonical SMILES for 5-methylsulfanyl-3-(2-nitrophenyl)-1,2-thiazole is CSc1cc(-c2ccccc2[N+](=O)[O-])ns1.
What is the InChIKey of 5-methylsulfanyl-3-(2-nitrophenyl)-1,2-thiazole?
The InChIKey is RXNCMBJKYMPCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S2/c1-15-10-6-8(11-16-10)7-4-2-3-5-9(7)12(13)14/h2-6H,1H3.
What are the key properties of 5-methylsulfanyl-3-(2-nitrophenyl)-1,2-thiazole?
5-methylsulfanyl-3-(2-nitrophenyl)-1,2-thiazole has a molecular weight of 252.32 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-3-(2-nitrophenyl)-1,2-thiazole is sourced from PubChem (CID 21271831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).