methyl 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanoate

C14H16N2O2S — CID 66171884

IUPACmethyl 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanoate
SMILESCOC(=O)C(C)Nc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C14H16N2O2S/c1-9(14(17)18-3)15-12-6-4-11(5-7-12)13-8-19-10(2)16-13/h4-9,15H,1-3H3
InChIKeyONXOAZCXEUWSIO-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.09
Rot. Bonds4

About methyl 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanoate

methyl 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanoate (PubChem CID 66171884) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is methyl 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanoate
PubChem CID66171884
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Namemethyl 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanoate
SMILESCOC(=O)C(C)Nc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C14H16N2O2S/c1-9(14(17)18-3)15-12-6-4-11(5-7-12)13-8-19-10(2)16-13/h4-9,15H,1-3H3
InChIKeyONXOAZCXEUWSIO-UHFFFAOYSA-N
XLogP3.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(3,4-dimethoxyphenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25360251
(2R)-N-(3,4-dimethoxyphenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25360250
(2R)-N-(4-acetamidophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25407937
4-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylaniline
CID 28682074
methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108727310
2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide
CID 47019877
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 47018344
2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 55096711
(2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(2-propan-2-ylphenyl)propanamide
CID 25409868
(2S)-N-(2,6-difluorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25376034
(2R)-N-(2-chlorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25361158
(2S,3S)-2-amino-3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 61274193

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanoate?
The IUPAC name of methyl 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanoate (CID 66171884) is methyl 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanoate.
What is the SMILES notation for methyl 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanoate?
The canonical SMILES for methyl 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanoate is COC(=O)C(C)Nc1ccc(-c2csc(C)n2)cc1.
What is the InChIKey of methyl 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanoate?
The InChIKey is ONXOAZCXEUWSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9(14(17)18-3)15-12-6-4-11(5-7-12)13-8-19-10(2)16-13/h4-9,15H,1-3H3.
What are the key properties of methyl 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanoate?
methyl 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanoate has a molecular weight of 276.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanoate is sourced from PubChem (CID 66171884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).