methyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate

C14H16N2O2S — CID 78913070

IUPACmethyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(-c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C14H16N2O2S/c1-16(2)12-6-4-10(5-7-12)14-15-11(9-19-14)8-13(17)18-3/h4-7,9H,8H2,1-3H3
InChIKeyHJWYKIVGKIKDBZ-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.59
Rot. Bonds4

About methyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate

methyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate (PubChem CID 78913070) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is methyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate
PubChem CID78913070
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Namemethyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(-c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C14H16N2O2S/c1-16(2)12-6-4-10(5-7-12)14-15-11(9-19-14)8-13(17)18-3/h4-7,9H,8H2,1-3H3
InChIKeyHJWYKIVGKIKDBZ-UHFFFAOYSA-N
XLogP2.59
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate
CID 78913066
methyl 2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetate
CID 106847709
methyl 2-(2-quinolin-6-yl-1,3-thiazol-4-yl)acetate
CID 80574366
[1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 55359013
methyl 2-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]acetate
CID 136988898
methyl 2-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 80574115
[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]methanethiol
CID 82131509
methyl 2-[2-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 91434658
4-(dimethylamino)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 47093407
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 17398411
methyl 2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]oxyphenyl]acetate
CID 18273893
methyl 2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetate
CID 80575671

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate (CID 78913070) is methyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(-c2ccc(N(C)C)cc2)n1.
What is the InChIKey of methyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is HJWYKIVGKIKDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-16(2)12-6-4-10(5-7-12)14-15-11(9-19-14)8-13(17)18-3/h4-7,9H,8H2,1-3H3.
What are the key properties of methyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 276.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 78913070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).