2-(chloromethyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazole

C12H12ClNO2S — CID 62922717

IUPAC2-(chloromethyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(OC)c(-c2csc(CCl)n2)c1
InChIInChI=1S/C12H12ClNO2S/c1-15-8-3-4-11(16-2)9(5-8)10-7-17-12(6-13)14-10/h3-5,7H,6H2,1-2H3
InChIKeyOVCCVDJETPTVBN-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.57
Rot. Bonds4

About 2-(chloromethyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazole

2-(chloromethyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazole (PubChem CID 62922717) has the molecular formula C12H12ClNO2S and a molecular weight of 269.75 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(chloromethyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazole
PubChem CID62922717
Molecular FormulaC12H12ClNO2S
Molecular Weight269.75 g/mol
Exact Mass269.03
IUPAC Name2-(chloromethyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(OC)c(-c2csc(CCl)n2)c1
InChIInChI=1S/C12H12ClNO2S/c1-15-8-3-4-11(16-2)9(5-8)10-7-17-12(6-13)14-10/h3-5,7H,6H2,1-2H3
InChIKeyOVCCVDJETPTVBN-UHFFFAOYSA-N
XLogP3.57
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
4-(2,5-dimethoxyphenyl)-N-ethyl-1,3-thiazol-2-amine
CID 8962407
4-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-1,3-thiazole
CID 116969940
5-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 53331370
4-(2,5-dimethoxyphenyl)-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine
CID 8750392
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one
CID 159876818
[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol
CID 82124686
[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol
CID 116965875
2-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde
CID 116968816
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 4263247
2-(bromomethyl)-4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole
CID 116970303

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-(chloromethyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazole (CID 62922717) is 2-(chloromethyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(chloromethyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-(chloromethyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazole is COc1ccc(OC)c(-c2csc(CCl)n2)c1.
What is the InChIKey of 2-(chloromethyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazole?
The InChIKey is OVCCVDJETPTVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2S/c1-15-8-3-4-11(16-2)9(5-8)10-7-17-12(6-13)14-10/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-(chloromethyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazole?
2-(chloromethyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazole has a molecular weight of 269.75 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 62922717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).