2,5-dimethyl-4-(4-nitrophenyl)-1,3-thiazole

C11H10N2O2S — CID 67621456

IUPAC2,5-dimethyl-4-(4-nitrophenyl)-1,3-thiazole
SMILESCc1nc(-c2ccc([N+](=O)[O-])cc2)c(C)s1
InChIInChI=1S/C11H10N2O2S/c1-7-11(12-8(2)16-7)9-3-5-10(6-4-9)13(14)15/h3-6H,1-2H3
InChIKeyJCJMXDKCOUHXGW-UHFFFAOYSA-N
MW234.28 g/mol
LogP3.34
Rot. Bonds2

About 2,5-dimethyl-4-(4-nitrophenyl)-1,3-thiazole

2,5-dimethyl-4-(4-nitrophenyl)-1,3-thiazole (PubChem CID 67621456) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2,5-dimethyl-4-(4-nitrophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2,5-dimethyl-4-(4-nitrophenyl)-1,3-thiazole
PubChem CID67621456
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name2,5-dimethyl-4-(4-nitrophenyl)-1,3-thiazole
SMILESCc1nc(-c2ccc([N+](=O)[O-])cc2)c(C)s1
InChIInChI=1S/C11H10N2O2S/c1-7-11(12-8(2)16-7)9-3-5-10(6-4-9)13(14)15/h3-6H,1-2H3
InChIKeyJCJMXDKCOUHXGW-UHFFFAOYSA-N
XLogP3.34
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

5-methyl-4-(4-nitrophenyl)-2-pyridin-2-yl-1,3-thiazole
CID 58200580
2,3-dimethyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 50878469
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenoxy)acetamide
CID 12525792
3-methyl-4-(4-nitrophenyl)-1,2,5-oxadiazole
CID 13144101
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488
2-methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 4173731
(E)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 1047668
2,3-bis(4-methylphenyl)-6-nitroquinoxaline
CID 2970023
4,5-dimethyl-3-(4-nitrophenyl)thiophen-2-amine
CID 82366104
2,5-dimethyl-4-naphthalen-2-yl-1,3-thiazole
CID 21058775
1-methyl-4-nitrobenzene;molecular nitrogen
CID 175124528
5-methyl-2-(4-nitrophenyl)-4-phenyl-1,3-oxazole
CID 57465372

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(4-nitrophenyl)-1,3-thiazole?
The IUPAC name of 2,5-dimethyl-4-(4-nitrophenyl)-1,3-thiazole (CID 67621456) is 2,5-dimethyl-4-(4-nitrophenyl)-1,3-thiazole.
What is the SMILES notation for 2,5-dimethyl-4-(4-nitrophenyl)-1,3-thiazole?
The canonical SMILES for 2,5-dimethyl-4-(4-nitrophenyl)-1,3-thiazole is Cc1nc(-c2ccc([N+](=O)[O-])cc2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-4-(4-nitrophenyl)-1,3-thiazole?
The InChIKey is JCJMXDKCOUHXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-7-11(12-8(2)16-7)9-3-5-10(6-4-9)13(14)15/h3-6H,1-2H3.
What are the key properties of 2,5-dimethyl-4-(4-nitrophenyl)-1,3-thiazole?
2,5-dimethyl-4-(4-nitrophenyl)-1,3-thiazole has a molecular weight of 234.28 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(4-nitrophenyl)-1,3-thiazole is sourced from PubChem (CID 67621456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).