3-[2-(4-methoxy-N-methylanilino)-1,3-thiazol-4-yl]propanoic acid

C14H16N2O3S — CID 103486807

IUPAC3-[2-(4-methoxy-N-methylanilino)-1,3-thiazol-4-yl]propanoic acid
SMILESCOc1ccc(N(C)c2nc(CCC(=O)O)cs2)cc1
InChIInChI=1S/C14H16N2O3S/c1-16(11-4-6-12(19-2)7-5-11)14-15-10(9-20-14)3-8-13(17)18/h4-7,9H,3,8H2,1-2H3,(H,17,18)
InChIKeyVJTMBXVEOUVIFD-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.94
Rot. Bonds6

About 3-[2-(4-methoxy-N-methylanilino)-1,3-thiazol-4-yl]propanoic acid

3-[2-(4-methoxy-N-methylanilino)-1,3-thiazol-4-yl]propanoic acid (PubChem CID 103486807) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-[2-(4-methoxy-N-methylanilino)-1,3-thiazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(4-methoxy-N-methylanilino)-1,3-thiazol-4-yl]propanoic acid
PubChem CID103486807
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name3-[2-(4-methoxy-N-methylanilino)-1,3-thiazol-4-yl]propanoic acid
SMILESCOc1ccc(N(C)c2nc(CCC(=O)O)cs2)cc1
InChIInChI=1S/C14H16N2O3S/c1-16(11-4-6-12(19-2)7-5-11)14-15-10(9-20-14)3-8-13(17)18/h4-7,9H,3,8H2,1-2H3,(H,17,18)
InChIKeyVJTMBXVEOUVIFD-UHFFFAOYSA-N
XLogP2.94
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[(4-methoxyphenyl)methyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103486744
3-[2-[(3-methoxyphenyl)methyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103487225
3-[2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103486763
3-[2-[3-(dimethylamino)propyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103487682
methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate
CID 107039652
3-[2-[ethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486550
3-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486149
3-[2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486329
4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-methylamino]phenol
CID 2958903
4-ethyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid
CID 62763927
3-[1-(4-methoxyphenyl)imidazol-4-yl]propanoic acid
CID 82479273
3-[2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103487480

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxy-N-methylanilino)-1,3-thiazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-(4-methoxy-N-methylanilino)-1,3-thiazol-4-yl]propanoic acid (CID 103486807) is 3-[2-(4-methoxy-N-methylanilino)-1,3-thiazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-(4-methoxy-N-methylanilino)-1,3-thiazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-(4-methoxy-N-methylanilino)-1,3-thiazol-4-yl]propanoic acid is COc1ccc(N(C)c2nc(CCC(=O)O)cs2)cc1.
What is the InChIKey of 3-[2-(4-methoxy-N-methylanilino)-1,3-thiazol-4-yl]propanoic acid?
The InChIKey is VJTMBXVEOUVIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-16(11-4-6-12(19-2)7-5-11)14-15-10(9-20-14)3-8-13(17)18/h4-7,9H,3,8H2,1-2H3,(H,17,18).
What are the key properties of 3-[2-(4-methoxy-N-methylanilino)-1,3-thiazol-4-yl]propanoic acid?
3-[2-(4-methoxy-N-methylanilino)-1,3-thiazol-4-yl]propanoic acid has a molecular weight of 292.36 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxy-N-methylanilino)-1,3-thiazol-4-yl]propanoic acid is sourced from PubChem (CID 103486807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).