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

C7H9ClN2O2S — CID 166405804

IUPAC2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CCl)sn1
InChIInChI=1S/C7H9ClN2O2S/c1-12-7-2-5(13-10-7)4-9-6(11)3-8/h2H,3-4H2,1H3,(H,9,11)
InChIKeyWQJRGFIEXCASJM-UHFFFAOYSA-N
MW220.68 g/mol
LogP1.01
Rot. Bonds4

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

2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]acetamide (PubChem CID 166405804) has the molecular formula C7H9ClN2O2S and a molecular weight of 220.68 g/mol. Its IUPAC name is 2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]acetamide
PubChem CID166405804
Molecular FormulaC7H9ClN2O2S
Molecular Weight220.68 g/mol
Exact Mass220.01
IUPAC Name2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CCl)sn1
InChIInChI=1S/C7H9ClN2O2S/c1-12-7-2-5(13-10-7)4-9-6(11)3-8/h2H,3-4H2,1H3,(H,9,11)
InChIKeyWQJRGFIEXCASJM-UHFFFAOYSA-N
XLogP1.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-3-methylurea
CID 130871132
2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide
CID 166407535
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
trans-(1R,2R)-2-[4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]phenyl]cyclopropane-1-carboxylic acid
CID 166253526
2-(3-methoxy-1,2-thiazol-5-yl)ethanol
CID 131050531
(3-methoxy-1,2-thiazol-5-yl)methanesulfonyl chloride
CID 122163314
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61280250
(3-methoxy-1,2-thiazol-5-yl)methanamine;dihydrochloride
CID 154857193
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
2-chloro-N-[(3-methoxy-4-methylphenyl)methyl]acetamide
CID 166403835
ethyl 5-[(3-methoxy-1,2-thiazol-5-yl)methylamino]pyridine-2-carboxylate
CID 154845831

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]acetamide (CID 166405804) is 2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]acetamide is COc1cc(CNC(=O)CCl)sn1.
What is the InChIKey of 2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]acetamide?
The InChIKey is WQJRGFIEXCASJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2S/c1-12-7-2-5(13-10-7)4-9-6(11)3-8/h2H,3-4H2,1H3,(H,9,11).
What are the key properties of 2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]acetamide?
2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]acetamide has a molecular weight of 220.68 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 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]acetamide is sourced from PubChem (CID 166405804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).