1-chloro-4-methyl-2-nitrobenzene;1,3-thiazole

C10H9ClN2O2S — CID 174743715

IUPAC1-chloro-4-methyl-2-nitrobenzene;1,3-thiazole
SMILESCc1ccc(Cl)c([N+](=O)[O-])c1.c1cscn1
InChIInChI=1S/C7H6ClNO2.C3H3NS/c1-5-2-3-6(8)7(4-5)9(10)11;1-2-5-3-4-1/h2-4H,1H3;1-3H
InChIKeyNJTXMKIDFAAXRO-UHFFFAOYSA-N
MW256.71 g/mol
LogP3.70
Rot. Bonds1

About 1-chloro-4-methyl-2-nitrobenzene;1,3-thiazole

1-chloro-4-methyl-2-nitrobenzene;1,3-thiazole (PubChem CID 174743715) has the molecular formula C10H9ClN2O2S and a molecular weight of 256.71 g/mol. Its IUPAC name is 1-chloro-4-methyl-2-nitrobenzene;1,3-thiazole.

Molecular Properties

Compound Name1-chloro-4-methyl-2-nitrobenzene;1,3-thiazole
PubChem CID174743715
Molecular FormulaC10H9ClN2O2S
Molecular Weight256.71 g/mol
Exact Mass256.01
IUPAC Name1-chloro-4-methyl-2-nitrobenzene;1,3-thiazole
SMILESCc1ccc(Cl)c([N+](=O)[O-])c1.c1cscn1
InChIInChI=1S/C7H6ClNO2.C3H3NS/c1-5-2-3-6(8)7(4-5)9(10)11;1-2-5-3-4-1/h2-4H,1H3;1-3H
InChIKeyNJTXMKIDFAAXRO-UHFFFAOYSA-N
XLogP3.70
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 53.70
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

4-methyl-2-nitrophenolate
CID 6989903
1-chloro-4-[(4-methylphenyl)methyl]-2-nitrobenzene
CID 59408136
nitrobenzene;1,3-thiazole;zinc
CID 175606702
(4-chloro-3-nitrophenyl)-(4-methylphenyl)methanone
CID 838862
sodium 4-methyl-2-nitrophenolate
CID 12989561
1,4-dimethyl-2-nitrobenzene
CID 20849377
2-chloro-N-[(4-chloro-3-nitrophenyl)methyl]-5-methylaniline
CID 107634704
4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide
CID 102504215
4-chloro-N-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide
CID 81227319
2-(2-chloro-5-methylphenoxy)-5-methylsulfonyl-3-nitrothiophene
CID 133451233
2-(4-chloro-3-nitroanilino)-N-(4-methylphenyl)acetamide
CID 18078607
N-[(4-chloro-3-nitrophenyl)methyl]-2,5-dimethylaniline
CID 81301563

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methyl-2-nitrobenzene;1,3-thiazole?
The IUPAC name of 1-chloro-4-methyl-2-nitrobenzene;1,3-thiazole (CID 174743715) is 1-chloro-4-methyl-2-nitrobenzene;1,3-thiazole.
What is the SMILES notation for 1-chloro-4-methyl-2-nitrobenzene;1,3-thiazole?
The canonical SMILES for 1-chloro-4-methyl-2-nitrobenzene;1,3-thiazole is Cc1ccc(Cl)c([N+](=O)[O-])c1.c1cscn1.
What is the InChIKey of 1-chloro-4-methyl-2-nitrobenzene;1,3-thiazole?
The InChIKey is NJTXMKIDFAAXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO2.C3H3NS/c1-5-2-3-6(8)7(4-5)9(10)11;1-2-5-3-4-1/h2-4H,1H3;1-3H.
What are the key properties of 1-chloro-4-methyl-2-nitrobenzene;1,3-thiazole?
1-chloro-4-methyl-2-nitrobenzene;1,3-thiazole has a molecular weight of 256.71 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methyl-2-nitrobenzene;1,3-thiazole is sourced from PubChem (CID 174743715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).