2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide

C14H16ClN3O2S — CID 62799435

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)Cc1csc(N)n1
InChIInChI=1S/C14H16ClN3O2S/c1-18(13(19)8-11-9-21-14(16)17-11)6-7-20-12-4-2-10(15)3-5-12/h2-5,9H,6-8H2,1H3,(H2,16,17)
InChIKeyBMBPDPAHWDNIDL-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.46
Rot. Bonds6

About 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide

2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide (PubChem CID 62799435) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide
PubChem CID62799435
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)Cc1csc(N)n1
InChIInChI=1S/C14H16ClN3O2S/c1-18(13(19)8-11-9-21-14(16)17-11)6-7-20-12-4-2-10(15)3-5-12/h2-5,9H,6-8H2,1H3,(H2,16,17)
InChIKeyBMBPDPAHWDNIDL-UHFFFAOYSA-N
XLogP2.46
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-bromophenoxy)ethyl]-N-methylacetamide
CID 62799436
N-[2-(4-chlorophenoxy)ethyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 55332279
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 134049917
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenoxy)ethyl]-N-methylacetamide
CID 31285188
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 31641686
N-[4-[2-[3-(4-chlorophenoxy)propyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55896812
N-[4-[2-[3-(4-chlorophenoxy)propyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 55896945
2-methyl-N-[4-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 55772290
3-amino-N-[2-(4-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
CID 61114488
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
3-(2-aminophenyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpropanamide
CID 120608115
4-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethylbutanamide
CID 81075390

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide (CID 62799435) is 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide is CN(CCOc1ccc(Cl)cc1)C(=O)Cc1csc(N)n1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide?
The InChIKey is BMBPDPAHWDNIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-18(13(19)8-11-9-21-14(16)17-11)6-7-20-12-4-2-10(15)3-5-12/h2-5,9H,6-8H2,1H3,(H2,16,17).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide has a molecular weight of 325.82 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide is sourced from PubChem (CID 62799435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).