N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide

C13H13ClN2O3S — CID 108745929

IUPACN-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1nc(CCl)cs1
InChIInChI=1S/C13H13ClN2O3S/c1-18-10-4-2-3-5-11(10)19-7-12(17)16-13-15-9(6-14)8-20-13/h2-5,8H,6-7H2,1H3,(H,15,16,17)
InChIKeyBHLGNFGKQWVZKP-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.91
Rot. Bonds6

About N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 108745929) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
PubChem CID108745929
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1nc(CCl)cs1
InChIInChI=1S/C13H13ClN2O3S/c1-18-10-4-2-3-5-11(10)19-7-12(17)16-13-15-9(6-14)8-20-13/h2-5,8H,6-7H2,1H3,(H,15,16,17)
InChIKeyBHLGNFGKQWVZKP-UHFFFAOYSA-N
XLogP2.91
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 108726536
N-(4-acetyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
CID 24634049
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
CID 2644525
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)acetamide
CID 108745935
N-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide
CID 10398016
methyl 2-[2-[[2-(2-tert-butylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 38985945
ethyl 2-[2-[[2-(2-propoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 18129539
[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 23733738
3-(2-methoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 2522764
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 19196538
2-(2-tert-butylphenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19217769
2-(2-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 17361677

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide (CID 108745929) is N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)Nc1nc(CCl)cs1.
What is the InChIKey of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is BHLGNFGKQWVZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c1-18-10-4-2-3-5-11(10)19-7-12(17)16-13-15-9(6-14)8-20-13/h2-5,8H,6-7H2,1H3,(H,15,16,17).
What are the key properties of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide?
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 312.78 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 108745929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).