2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide

C8H11ClN2O2S — CID 166407535

IUPAC2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide
SMILESCOc1cc(CN(C)C(=O)CCl)sn1
InChIInChI=1S/C8H11ClN2O2S/c1-11(8(12)4-9)5-6-3-7(13-2)10-14-6/h3H,4-5H2,1-2H3
InChIKeyXEEFIAGRAPTJEV-UHFFFAOYSA-N
MW234.71 g/mol
LogP1.35
Rot. Bonds4

About 2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide

2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide (PubChem CID 166407535) has the molecular formula C8H11ClN2O2S and a molecular weight of 234.71 g/mol. Its IUPAC name is 2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide
PubChem CID166407535
Molecular FormulaC8H11ClN2O2S
Molecular Weight234.71 g/mol
Exact Mass234.02
IUPAC Name2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide
SMILESCOc1cc(CN(C)C(=O)CCl)sn1
InChIInChI=1S/C8H11ClN2O2S/c1-11(8(12)4-9)5-6-3-7(13-2)10-14-6/h3H,4-5H2,1-2H3
InChIKeyXEEFIAGRAPTJEV-UHFFFAOYSA-N
XLogP1.35
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 51.35
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

N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylcarbamoyl chloride
CID 165498652
2-chloro-N-(2-methoxyethyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]acetamide
CID 166415337
2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]acetamide
CID 166405804
trans-(1R,2R)-2-(4-bromophenyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylcyclopropane-1-carboxamide
CID 166263231
2-chloro-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 166403146
(3-methoxy-1,2-thiazol-5-yl)methanesulfonyl chloride
CID 122163314
2-chloro-N-[(2-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide
CID 82110242
3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1-methylurea
CID 146143348
N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,5,6-trimethylpyrimidin-4-amine
CID 138050729
2-chloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19619342
methyl 3-[[(2-chloroacetyl)-methylamino]methyl]benzoate
CID 167785588
2-chloro-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]acetamide;hydrochloride
CID 138041016

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide (CID 166407535) is 2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide is COc1cc(CN(C)C(=O)CCl)sn1.
What is the InChIKey of 2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide?
The InChIKey is XEEFIAGRAPTJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S/c1-11(8(12)4-9)5-6-3-7(13-2)10-14-6/h3H,4-5H2,1-2H3.
What are the key properties of 2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide?
2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide has a molecular weight of 234.71 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 166407535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).