2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazole

C13H10ClN3O4S — CID 11233079

IUPAC2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazole
SMILESCOc1cc([N+](=O)[O-])c(OC)cc1-c1cn2cc(Cl)sc2n1
InChIInChI=1S/C13H10ClN3O4S/c1-20-10-4-9(17(18)19)11(21-2)3-7(10)8-5-16-6-12(14)22-13(16)15-8/h3-6H,1-2H3
InChIKeyUBWLOVIQKLKGQB-UHFFFAOYSA-N
MW339.76 g/mol
LogP3.64
Rot. Bonds4

About 2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazole

2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 11233079) has the molecular formula C13H10ClN3O4S and a molecular weight of 339.76 g/mol. Its IUPAC name is 2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazole
PubChem CID11233079
Molecular FormulaC13H10ClN3O4S
Molecular Weight339.76 g/mol
Exact Mass339.01
IUPAC Name2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazole
SMILESCOc1cc([N+](=O)[O-])c(OC)cc1-c1cn2cc(Cl)sc2n1
InChIInChI=1S/C13H10ClN3O4S/c1-20-10-4-9(17(18)19)11(21-2)3-7(10)8-5-16-6-12(14)22-13(16)15-8/h3-6H,1-2H3
InChIKeyUBWLOVIQKLKGQB-UHFFFAOYSA-N
XLogP3.64
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.76
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

1-chloro-2,5-dimethoxy-4-nitrobenzene;methanol
CID 174813767
4-chloro-3-(2,4-dimethoxy-5-nitrophenyl)-1-methyl-5-(trifluoromethyl)pyrazole
CID 152641447
2-chloro-6-methylimidazo[2,1-b][1,3]thiazole
CID 24822764
5-methoxy-2,4-dinitrobenzenethiol
CID 101493596
2-[6-(2-ethoxy-5-nitrophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 4275148
1-(dinitromethyl)-5-methoxy-2,4-dinitrobenzene
CID 23423952
1-chloro-4-methoxy-2-(methoxymethyl)-5-nitrobenzene
CID 130271092
2-(4,5-dimethoxy-2-nitrophenyl)-6,7-dimethoxyquinoline
CID 12695180
2-[6-(2-ethoxy-5-methyl-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3564336
2-[(E)-[2-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methylideneamino]guanidine
CID 54771592
5-methoxy-1,3-dimethyl-6-nitrobenzimidazol-2-one
CID 752226
2,4-dimethoxy-5-nitrobenzoyl chloride
CID 21406539

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazole (CID 11233079) is 2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazole is COc1cc([N+](=O)[O-])c(OC)cc1-c1cn2cc(Cl)sc2n1.
What is the InChIKey of 2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is UBWLOVIQKLKGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O4S/c1-20-10-4-9(17(18)19)11(21-2)3-7(10)8-5-16-6-12(14)22-13(16)15-8/h3-6H,1-2H3.
What are the key properties of 2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazole?
2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 339.76 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 11233079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).