2-chloro-5-[(2-methoxy-4-nitrophenoxy)methyl]-1,3-thiazole

C11H9ClN2O4S — CID 79765252

IUPAC2-chloro-5-[(2-methoxy-4-nitrophenoxy)methyl]-1,3-thiazole
SMILESCOc1cc([N+](=O)[O-])ccc1OCc1cnc(Cl)s1
InChIInChI=1S/C11H9ClN2O4S/c1-17-10-4-7(14(15)16)2-3-9(10)18-6-8-5-13-11(12)19-8/h2-5H,6H2,1H3
InChIKeyIKGLOPWLARZSCF-UHFFFAOYSA-N
MW300.72 g/mol
LogP3.29
Rot. Bonds5

About 2-chloro-5-[(2-methoxy-4-nitrophenoxy)methyl]-1,3-thiazole

2-chloro-5-[(2-methoxy-4-nitrophenoxy)methyl]-1,3-thiazole (PubChem CID 79765252) has the molecular formula C11H9ClN2O4S and a molecular weight of 300.72 g/mol. Its IUPAC name is 2-chloro-5-[(2-methoxy-4-nitrophenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[(2-methoxy-4-nitrophenoxy)methyl]-1,3-thiazole
PubChem CID79765252
Molecular FormulaC11H9ClN2O4S
Molecular Weight300.72 g/mol
Exact Mass300.00
IUPAC Name2-chloro-5-[(2-methoxy-4-nitrophenoxy)methyl]-1,3-thiazole
SMILESCOc1cc([N+](=O)[O-])ccc1OCc1cnc(Cl)s1
InChIInChI=1S/C11H9ClN2O4S/c1-17-10-4-7(14(15)16)2-3-9(10)18-6-8-5-13-11(12)19-8/h2-5H,6H2,1H3
InChIKeyIKGLOPWLARZSCF-UHFFFAOYSA-N
XLogP3.29
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.72
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-chloro-5-[(2-chloro-5-nitrophenoxy)methyl]-1,3-thiazole
CID 79764621
2-chloro-5-[(2-methoxy-4-nitrophenoxy)methyl]-1,3,4-thiadiazole
CID 80607055
5-[(2-chloro-4-nitrophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79761294
2,6-dichloro-3-[(2-methoxy-4-nitrophenoxy)methyl]pyridine
CID 106994569
2-[(2-methoxy-4-nitrophenoxy)methyl]-5-methylpyrazine
CID 162519884
5-[(2-methoxy-4-nitrophenoxy)methyl]-2-methylpyridine
CID 162519959
1-(2-chloroethoxy)-2-methoxy-4-nitrobenzene
CID 22326897
2-methoxy-4-nitro-1-propoxybenzene
CID 131858212
5-[(2-methoxy-4-nitrophenoxy)methyl]-1H-pyrazole
CID 162519870
2-chloro-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole
CID 79764993
2-[(2-methyl-1,3-thiazol-5-yl)methoxy]-5-nitrobenzoic acid
CID 63020472
1,2-bis[(2-methoxyphenyl)methoxy]-4-nitrobenzene
CID 142794424

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-methoxy-4-nitrophenoxy)methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[(2-methoxy-4-nitrophenoxy)methyl]-1,3-thiazole (CID 79765252) is 2-chloro-5-[(2-methoxy-4-nitrophenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[(2-methoxy-4-nitrophenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[(2-methoxy-4-nitrophenoxy)methyl]-1,3-thiazole is COc1cc([N+](=O)[O-])ccc1OCc1cnc(Cl)s1.
What is the InChIKey of 2-chloro-5-[(2-methoxy-4-nitrophenoxy)methyl]-1,3-thiazole?
The InChIKey is IKGLOPWLARZSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O4S/c1-17-10-4-7(14(15)16)2-3-9(10)18-6-8-5-13-11(12)19-8/h2-5H,6H2,1H3.
What are the key properties of 2-chloro-5-[(2-methoxy-4-nitrophenoxy)methyl]-1,3-thiazole?
2-chloro-5-[(2-methoxy-4-nitrophenoxy)methyl]-1,3-thiazole has a molecular weight of 300.72 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-methoxy-4-nitrophenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 79765252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).