4-(chloromethyl)-2-[2-(furan-2-ylmethoxymethyl)phenyl]-1,3-thiazole

C16H14ClNO2S — CID 43320209

IUPAC4-(chloromethyl)-2-[2-(furan-2-ylmethoxymethyl)phenyl]-1,3-thiazole
SMILESClCc1csc(-c2ccccc2COCc2ccco2)n1
InChIInChI=1S/C16H14ClNO2S/c17-8-13-11-21-16(18-13)15-6-2-1-4-12(15)9-19-10-14-5-3-7-20-14/h1-7,11H,8-10H2
InChIKeyXEWJTVGXUHWWDD-UHFFFAOYSA-N
MW319.81 g/mol
LogP4.86
Rot. Bonds6

About 4-(chloromethyl)-2-[2-(furan-2-ylmethoxymethyl)phenyl]-1,3-thiazole

4-(chloromethyl)-2-[2-(furan-2-ylmethoxymethyl)phenyl]-1,3-thiazole (PubChem CID 43320209) has the molecular formula C16H14ClNO2S and a molecular weight of 319.81 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[2-(furan-2-ylmethoxymethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[2-(furan-2-ylmethoxymethyl)phenyl]-1,3-thiazole
PubChem CID43320209
Molecular FormulaC16H14ClNO2S
Molecular Weight319.81 g/mol
Exact Mass319.04
IUPAC Name4-(chloromethyl)-2-[2-(furan-2-ylmethoxymethyl)phenyl]-1,3-thiazole
SMILESClCc1csc(-c2ccccc2COCc2ccco2)n1
InChIInChI=1S/C16H14ClNO2S/c17-8-13-11-21-16(18-13)15-6-2-1-4-12(15)9-19-10-14-5-3-7-20-14/h1-7,11H,8-10H2
InChIKeyXEWJTVGXUHWWDD-UHFFFAOYSA-N
XLogP4.86
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 54.86
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-(chloromethyl)-2-[2-(pentoxymethyl)phenyl]-1,3-thiazole
CID 43275214
[4-(furan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 62443694
2-[(2-fluorophenyl)methoxymethyl]furan
CID 70570025
N-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-N-methylethanamine
CID 43263635
4-(chloromethyl)-2-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole
CID 43138436
3-(furan-2-ylmethoxymethyl)-2-methylaniline
CID 43509271
N-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 43273971
2-[2-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-(chloromethyl)-1,3-thiazole
CID 61034902
2-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoyl chloride
CID 154260992
2-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide
CID 43620082
N-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 63865722
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 62800339

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[2-(furan-2-ylmethoxymethyl)phenyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[2-(furan-2-ylmethoxymethyl)phenyl]-1,3-thiazole (CID 43320209) is 4-(chloromethyl)-2-[2-(furan-2-ylmethoxymethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[2-(furan-2-ylmethoxymethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[2-(furan-2-ylmethoxymethyl)phenyl]-1,3-thiazole is ClCc1csc(-c2ccccc2COCc2ccco2)n1.
What is the InChIKey of 4-(chloromethyl)-2-[2-(furan-2-ylmethoxymethyl)phenyl]-1,3-thiazole?
The InChIKey is XEWJTVGXUHWWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2S/c17-8-13-11-21-16(18-13)15-6-2-1-4-12(15)9-19-10-14-5-3-7-20-14/h1-7,11H,8-10H2.
What are the key properties of 4-(chloromethyl)-2-[2-(furan-2-ylmethoxymethyl)phenyl]-1,3-thiazole?
4-(chloromethyl)-2-[2-(furan-2-ylmethoxymethyl)phenyl]-1,3-thiazole has a molecular weight of 319.81 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[2-(furan-2-ylmethoxymethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 43320209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).