methyl 2-[2-[(3-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate

C14H14N2O3S — CID 35569810

IUPACmethyl 2-[2-[(3-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)c2cccc(C)c2)n1
InChIInChI=1S/C14H14N2O3S/c1-9-4-3-5-10(6-9)13(18)16-14-15-11(8-20-14)7-12(17)19-2/h3-6,8H,7H2,1-2H3,(H,15,16,18)
InChIKeyHRMLEDXXOPSPAN-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.42
Rot. Bonds4

About methyl 2-[2-[(3-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate

methyl 2-[2-[(3-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 35569810) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is methyl 2-[2-[(3-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(3-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID35569810
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Namemethyl 2-[2-[(3-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)c2cccc(C)c2)n1
InChIInChI=1S/C14H14N2O3S/c1-9-4-3-5-10(6-9)13(18)16-14-15-11(8-20-14)7-12(17)19-2/h3-6,8H,7H2,1-2H3,(H,15,16,18)
InChIKeyHRMLEDXXOPSPAN-UHFFFAOYSA-N
XLogP2.42
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[2-[(3-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[2-(1,3-benzothiazole-6-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 9166067
3-methyl-N-[4-(methylamino)-1,3-thiazol-2-yl]benzamide
CID 54068309
methyl 2-[2-[(6-methoxypyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 38985431
N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3-methylbenzamide
CID 25487242
N-[4-[2-(2-methoxy-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 26841886
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methylbenzamide
CID 60728580
[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 9139375
methyl 2-[2-[(2,5-dihydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 107725368
3-methyl-N-[4-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 46579335
methyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 38986621
methyl 2-[2-[(2-chloro-5-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 106502724
ethyl 2-[2-[(3-methoxybenzoyl)carbamothioylamino]-1,3-thiazol-4-yl]acetate
CID 18822966

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(3-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[(3-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate (CID 35569810) is methyl 2-[2-[(3-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(3-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[(3-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NC(=O)c2cccc(C)c2)n1.
What is the InChIKey of methyl 2-[2-[(3-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is HRMLEDXXOPSPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-9-4-3-5-10(6-9)13(18)16-14-15-11(8-20-14)7-12(17)19-2/h3-6,8H,7H2,1-2H3,(H,15,16,18).
What are the key properties of methyl 2-[2-[(3-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[(3-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 290.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(3-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 35569810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).