4-methyl-5-[(Z)-2-nitro-2-phenylethenyl]-1,3-thiazole

C12H10N2O2S — CID 169493606

IUPAC4-methyl-5-[(Z)-2-nitro-2-phenylethenyl]-1,3-thiazole
SMILESCc1ncsc1/C=C(/c1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C12H10N2O2S/c1-9-12(17-8-13-9)7-11(14(15)16)10-5-3-2-4-6-10/h2-8H,1H3/b11-7-
InChIKeyIBYHFFXMURHXHO-XFFZJAGNSA-N
MW246.29 g/mol
LogP3.23
Rot. Bonds3

About 4-methyl-5-[(Z)-2-nitro-2-phenylethenyl]-1,3-thiazole

4-methyl-5-[(Z)-2-nitro-2-phenylethenyl]-1,3-thiazole (PubChem CID 169493606) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is 4-methyl-5-[(Z)-2-nitro-2-phenylethenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[(Z)-2-nitro-2-phenylethenyl]-1,3-thiazole
PubChem CID169493606
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC Name4-methyl-5-[(Z)-2-nitro-2-phenylethenyl]-1,3-thiazole
SMILESCc1ncsc1/C=C(/c1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C12H10N2O2S/c1-9-12(17-8-13-9)7-11(14(15)16)10-5-3-2-4-6-10/h2-8H,1H3/b11-7-
InChIKeyIBYHFFXMURHXHO-XFFZJAGNSA-N
XLogP3.23
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 53.23
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'}

Analyze 4-methyl-5-[(Z)-2-nitro-2-phenylethenyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-(4-Methyl-1,3-thiazol-5-yl)phenyl)methanamine
CID 89689879
1-(4-Methyl-5-thiazolyl)-1-phenylmethylamine
CID 9881256
5-(2-Fluorophenyl)-4-methyl-1,3-thiazole
CID 67275020
5-(3-Fluorophenyl)-4-methyl-1,3-thiazole
CID 70235938
Thiazolium, 4,5-dimethyl-3-(phenylmethyl)-, chloride
CID 11770549
Thiazole, 5-methyl-4-phenyl-
CID 208272
5-p-Nitrophenylthiazole
CID 72198670
3-Benzyl-4,5-dimethyl-1,3-thiazol-3-ium
CID 4160623
5-(3-Nitrophenyl)-1,3-thiazole
CID 10878300
4-Methyl-5-phenylthiazole
CID 21709653
Thiazole, 4-(4-nitrophenyl)-
CID 199103
4-(4-Nitrophenyl)-5-(trifluoromethyl)-1,3-thiazole
CID 14967784

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(Z)-2-nitro-2-phenylethenyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[(Z)-2-nitro-2-phenylethenyl]-1,3-thiazole (CID 169493606) is 4-methyl-5-[(Z)-2-nitro-2-phenylethenyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[(Z)-2-nitro-2-phenylethenyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[(Z)-2-nitro-2-phenylethenyl]-1,3-thiazole is Cc1ncsc1/C=C(/c1ccccc1)[N+](=O)[O-].
What is the InChIKey of 4-methyl-5-[(Z)-2-nitro-2-phenylethenyl]-1,3-thiazole?
The InChIKey is IBYHFFXMURHXHO-XFFZJAGNSA-N. The full InChI is InChI=1S/C12H10N2O2S/c1-9-12(17-8-13-9)7-11(14(15)16)10-5-3-2-4-6-10/h2-8H,1H3/b11-7-.
What are the key properties of 4-methyl-5-[(Z)-2-nitro-2-phenylethenyl]-1,3-thiazole?
4-methyl-5-[(Z)-2-nitro-2-phenylethenyl]-1,3-thiazole has a molecular weight of 246.29 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(Z)-2-nitro-2-phenylethenyl]-1,3-thiazole is sourced from PubChem (CID 169493606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).