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

C10H15ClN2O3S — CID 166415337

IUPAC2-chloro-N-(2-methoxyethyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]acetamide
SMILESCOCCN(Cc1cc(OC)ns1)C(=O)CCl
InChIInChI=1S/C10H15ClN2O3S/c1-15-4-3-13(10(14)6-11)7-8-5-9(16-2)12-17-8/h5H,3-4,6-7H2,1-2H3
InChIKeyPPTRWESRNGGFHD-UHFFFAOYSA-N
MW278.76 g/mol
LogP1.37
Rot. Bonds7

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

2-chloro-N-(2-methoxyethyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]acetamide (PubChem CID 166415337) has the molecular formula C10H15ClN2O3S and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyethyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyethyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]acetamide
PubChem CID166415337
Molecular FormulaC10H15ClN2O3S
Molecular Weight278.76 g/mol
Exact Mass278.05
IUPAC Name2-chloro-N-(2-methoxyethyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]acetamide
SMILESCOCCN(Cc1cc(OC)ns1)C(=O)CCl
InChIInChI=1S/C10H15ClN2O3S/c1-15-4-3-13(10(14)6-11)7-8-5-9(16-2)12-17-8/h5H,3-4,6-7H2,1-2H3
InChIKeyPPTRWESRNGGFHD-UHFFFAOYSA-N
XLogP1.37
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide
CID 166407535
N-[(4-tert-butylphenyl)methyl]-2-chloro-N-(2-methoxyethyl)acetamide
CID 39418874
2-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide
CID 60981148
4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55204256
(3-methoxy-1,2-thiazol-5-yl)methanesulfonyl chloride
CID 122163314
2-chloro-N-(2,2-dicyclopropylethyl)-N-[(3-methyl-1,2-thiazol-5-yl)methyl]acetamide
CID 166424106
2-[(2-chloroacetyl)-(3-methoxypropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 3966116
N-(2-methoxyethyl)-4-(propan-2-ylamino)-N-(thiophen-2-ylmethyl)butanamide
CID 60939568
[5-[[3-chloropropanoyl(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] methanesulfonate
CID 42776954
2-chloro-N-[(3-methoxyphenyl)methyl]-N-propylacetamide
CID 39357859
N-benzyl-N-(2-methoxyethyl)-4-thiophen-2-ylbutanamide
CID 78781430
N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloroacetamide
CID 15287415

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyethyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-(2-methoxyethyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]acetamide (CID 166415337) is 2-chloro-N-(2-methoxyethyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-(2-methoxyethyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-(2-methoxyethyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]acetamide is COCCN(Cc1cc(OC)ns1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-(2-methoxyethyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]acetamide?
The InChIKey is PPTRWESRNGGFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3S/c1-15-4-3-13(10(14)6-11)7-8-5-9(16-2)12-17-8/h5H,3-4,6-7H2,1-2H3.
What are the key properties of 2-chloro-N-(2-methoxyethyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]acetamide?
2-chloro-N-(2-methoxyethyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]acetamide has a molecular weight of 278.76 g/mol, XLogP of 1.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyethyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 166415337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).